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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 18:42:04 UTC
Update Date2022-09-22 18:35:10 UTC
HMDB IDHMDB0033927
Secondary Accession Numbers
  • HMDB33927
Metabolite Identification
Common Name3-Hydroxymugineic acid
Description3-Hydroxymugineic acid belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 3-Hydroxymugineic acid has been detected, but not quantified in, a few different foods, such as barleys (Hordeum vulgare), breakfast cereal, and cereals and cereal products. This could make 3-hydroxymugineic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3-Hydroxymugineic acid.
Structure
Data?1563862482
Synonyms
ValueSource
3-HydroxymugineateGenerator
3-HMAHMDB
1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl}-3-hydroxyazetidine-2-carboxylateGenerator
Chemical FormulaC12H20N2O9
Average Molecular Weight336.2952
Monoisotopic Molecular Weight336.116880248
IUPAC Name1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl}-3-hydroxyazetidine-2-carboxylic acid
Traditional Name1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]-2-hydroxypropyl}-3-hydroxyazetidine-2-carboxylic acid
CAS Registry Number74235-23-7
SMILES
OC(CN1CC(O)C1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)
InChI KeyQPIOQLJXMZWNFJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Dioxopiperazine
  • 2,5-dioxopiperazine
  • 1,4-diazinane
  • Piperazine
  • Secondary carboxylic acid amide
  • Lactam
  • Carboxamide group
  • Azacycle
  • Organoheterocyclic compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility52 g/LALOGPS
logP-2.3ALOGPS
logP-6.8ChemAxon
logS-0.81ALOGPS
pKa (Strongest Acidic)1.04ChemAxon
pKa (Strongest Basic)9.79ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area187.86 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity71.32 m³·mol⁻¹ChemAxon
Polarizability31.41 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+174.73731661259
DarkChem[M-H]-169.17931661259
DeepCCS[M+H]+171.07830932474
DeepCCS[M-H]-168.7230932474
DeepCCS[M-2H]-201.60630932474
DeepCCS[M+Na]+177.17130932474
AllCCS[M+H]+171.132859911
AllCCS[M+H-H2O]+168.632859911
AllCCS[M+NH4]+173.532859911
AllCCS[M+Na]+174.232859911
AllCCS[M-H]-173.532859911
AllCCS[M+Na-2H]-173.432859911
AllCCS[M+HCOO]-173.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-Hydroxymugineic acidOC(CN1CC(O)C1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O3473.2Standard polar33892256
3-Hydroxymugineic acidOC(CN1CC(O)C1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O2345.7Standard non polar33892256
3-Hydroxymugineic acidOC(CN1CC(O)C1C(O)=O)C(NCCC(O)C(O)=O)C(O)=O2856.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-Hydroxymugineic acid,1TMS,isomer #1C[Si](C)(C)OC(CN1CC(O)C1C(=O)O)C(NCCC(O)C(=O)O)C(=O)O2872.8Semi standard non polar33892256
3-Hydroxymugineic acid,1TMS,isomer #2C[Si](C)(C)OC1CN(CC(O)C(NCCC(O)C(=O)O)C(=O)O)C1C(=O)O2877.8Semi standard non polar33892256
3-Hydroxymugineic acid,1TMS,isomer #3C[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(NCCC(O)C(=O)O)C(=O)O2899.1Semi standard non polar33892256
3-Hydroxymugineic acid,1TMS,isomer #4C[Si](C)(C)OC(CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O)C(=O)O2869.0Semi standard non polar33892256
3-Hydroxymugineic acid,1TMS,isomer #5C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O2877.8Semi standard non polar33892256
3-Hydroxymugineic acid,1TMS,isomer #6C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O)C1C(=O)O2896.4Semi standard non polar33892256
3-Hydroxymugineic acid,1TMS,isomer #7C[Si](C)(C)N(CCC(O)C(=O)O)C(C(=O)O)C(O)CN1CC(O)C1C(=O)O2907.9Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #1C[Si](C)(C)OC(CN1CC(O[Si](C)(C)C)C1C(=O)O)C(NCCC(O)C(=O)O)C(=O)O2897.5Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #10C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O)C(NCCC(O)C(=O)O)C(=O)O2885.4Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #11C[Si](C)(C)OC1CN(CC(O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C)C1C(=O)O2913.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #12C[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(=O)O2852.2Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #13C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C2846.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #14C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C2859.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #15C[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2899.9Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #16C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(O)CN1CC(O)C1C(=O)O2860.5Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #17C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O)O[Si](C)(C)C2874.0Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #18C[Si](C)(C)OC(CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C)C(=O)O2934.3Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #19C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O2847.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C)C(NCCC(O)C(=O)O)C(=O)O2883.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #20C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C2896.5Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #21C[Si](C)(C)OC(=O)C(C(O)CN1CC(O)C1C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2911.8Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #3C[Si](C)(C)OC(CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)C(=O)O2882.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C2865.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C2903.2Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #6C[Si](C)(C)OC(CN1CC(O)C1C(=O)O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2927.2Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #7C[Si](C)(C)OC(CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)C(=O)O2899.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #8C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O2875.4Semi standard non polar33892256
3-Hydroxymugineic acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O2895.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O[Si](C)(C)C)C(NCCC(O)C(=O)O)C(=O)O2786.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C2801.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #11C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2802.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #12C[Si](C)(C)OC(CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2940.0Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #13C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C2773.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #14C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C2893.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #15C[Si](C)(C)OC(=O)C(C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C2910.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O2828.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #17C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(=O)O2797.4Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #18C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C2845.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #19C[Si](C)(C)OC(CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)[Si](C)(C)C)C(=O)O2949.3Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #2C[Si](C)(C)OC(CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)C(=O)O2846.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #20C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O2814.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #21C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C2782.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #22C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)[Si](C)(C)C2895.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #23C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C2783.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #24C[Si](C)(C)OC(=O)C(C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2902.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #25C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2893.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #26C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2762.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #27C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C2746.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #28C[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2882.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #29C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C2736.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C2818.0Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #30C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C2838.3Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #31C[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O[Si](C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C2848.2Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #32C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O)O[Si](C)(C)C2791.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #33C[Si](C)(C)OC(=O)C(C(O)CN1CC(O)C1C(=O)O)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2889.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #34C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C)O[Si](C)(C)C2908.3Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #35C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C2838.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C2829.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #5C[Si](C)(C)OC1CN(CC(O[Si](C)(C)C)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C)C1C(=O)O2955.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #6C[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C)C(NCCC(O[Si](C)(C)C)C(=O)O)C(=O)O2759.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2736.3Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2746.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2887.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O[Si](C)(C)C)C(NCCC(O[Si](C)(C)C)C(=O)O)C(=O)O2737.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)C(C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C2898.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2697.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #12C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2703.2Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #13C[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C)C(C(=O)O)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2856.2Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2689.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2811.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #16C[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C2813.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #17C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2733.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #18C[Si](C)(C)OC(=O)C(C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2870.5Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #19C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2881.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2710.5Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #20C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C2827.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C2785.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #22C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C2736.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #23C[Si](C)(C)OC(=O)C(C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2894.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #24C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2747.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #25C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O)C(C(=O)O)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2872.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #26C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)[Si](C)(C)C)O[Si](C)(C)C2913.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #27C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C2717.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #28C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)[Si](C)(C)C2868.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #29C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C2835.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2713.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #30C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O)C(C(=O)O[Si](C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C2842.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #31C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2702.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #32C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2822.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #33C[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O[Si](C)(C)C)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2817.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #34C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C2779.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #35C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C)O[Si](C)(C)C2837.5Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O[Si](C)(C)C)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C2866.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C2789.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2784.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #7C[Si](C)(C)OC(CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O2926.7Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C2764.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C2900.5Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2704.7Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #10C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C2835.7Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #11C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2680.9Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #12C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2803.9Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #13C[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2812.3Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #14C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2773.9Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #15C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2819.6Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #16C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2707.9Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #17C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O)[Si](C)(C)C)O[Si](C)(C)C2850.4Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #18C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O)C(C(=O)O[Si](C)(C)C)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2825.2Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #19C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2827.7Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C)C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2695.8Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #20C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C2796.0Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #21C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2774.3Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O[Si](C)(C)C)C(C(=O)O)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2857.0Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C2677.1Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2805.4Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #6C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C2812.2Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #7C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2723.2Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #8C[Si](C)(C)OC(=O)C(C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2883.7Semi standard non polar33892256
3-Hydroxymugineic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2882.3Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2685.4Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #2C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2814.8Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #3C[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C)CN1CC(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)N(CCC(O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2820.0Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C2784.7Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2834.0Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #6C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2773.9Semi standard non polar33892256
3-Hydroxymugineic acid,6TMS,isomer #7C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(O)CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2788.4Semi standard non polar33892256
3-Hydroxymugineic acid,7TMS,isomer #1C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2794.3Semi standard non polar33892256
3-Hydroxymugineic acid,7TMS,isomer #1C[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C)C(CN1CC(O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2920.7Standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CN1CC(O)C1C(=O)O)C(NCCC(O)C(=O)O)C(=O)O3124.1Semi standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1CN(CC(O)C(NCCC(O)C(=O)O)C(=O)O)C1C(=O)O3122.0Semi standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(NCCC(O)C(=O)O)C(=O)O3152.4Semi standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O)C(=O)O3115.7Semi standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O3130.9Semi standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O)C1C(=O)O3140.0Semi standard non polar33892256
3-Hydroxymugineic acid,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCC(O)C(=O)O)C(C(=O)O)C(O)CN1CC(O)C1C(=O)O3168.4Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)C(NCCC(O)C(=O)O)C(=O)O3346.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O)C(NCCC(O)C(=O)O)C(=O)O3330.3Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1CN(CC(O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C)C1C(=O)O3391.0Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O3308.3Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C3319.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C3318.9Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3378.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O)CN1CC(O)C1C(=O)O3312.1Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C3332.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O3409.2Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O3320.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C(NCCC(O)C(=O)O)C(=O)O3325.1Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C(C)(C)C3383.1Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(C(O)CN1CC(O)C1C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3391.6Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O3323.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C3324.4Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C3327.5Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(CN1CC(O)C1C(=O)O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3380.7Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)C(=O)O3338.4Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O3344.0Semi standard non polar33892256
3-Hydroxymugineic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O3349.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O[Si](C)(C)C(C)(C)C)C(NCCC(O)C(=O)O)C(=O)O3450.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C3466.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3472.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3571.4Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C3470.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3574.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3563.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O3489.8Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O3468.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C3507.2Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O3593.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O3476.5Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O3509.2Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C3478.3Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)[Si](C)(C)C(C)(C)C3589.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C3457.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C(C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3581.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3555.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3469.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C3465.4Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3563.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C3446.7Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C3484.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3550.9Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O[Si](C)(C)C(C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3551.2Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C3489.2Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)C(C(O)CN1CC(O)C1C(=O)O)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3588.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3600.3Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C(C)(C)C3575.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C3483.1Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1CN(CC(O[Si](C)(C)C(C)(C)C)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C)C1C(=O)O3562.0Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O3436.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3436.6Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3433.4Semi standard non polar33892256
3-Hydroxymugineic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3546.7Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O[Si](C)(C)C(C)(C)C)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O3609.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3763.5Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3581.7Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3600.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C(C(=O)O)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3733.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3574.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3709.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3696.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3612.8Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C(C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3762.5Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3770.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3602.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C(C)(C)C)C(CN1CC(O)C1C(=O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3742.2Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C3662.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C3626.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C(C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3801.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3615.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O)C(C(=O)O)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3756.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3807.2Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C3614.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)[Si](C)(C)C(C)(C)C3783.6Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(O)CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3738.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O)C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3570.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O)C(C(=O)O[Si](C)(C)C(C)(C)C)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3725.7Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3601.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C(CCN(C(C(=O)O)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3740.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)C1C(O)CN1CC(O)C(C(=O)O[Si](C)(C)C(C)(C)C)N(CCC(O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3737.4Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3705.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=O)C(CCN(C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)CN1CC(O)C1C(=O)O)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3771.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1C(O[Si](C)(C)C(C)(C)C)CN1CC(O[Si](C)(C)C(C)(C)C)C(C(=O)O)N(CCC(O)C(=O)O)[Si](C)(C)C(C)(C)C3729.0Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(NCCC(O[Si](C)(C)C(C)(C)C)C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C3651.3Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CCNC(C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3651.1Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3785.7Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O)CCNC(C(=O)O[Si](C)(C)C(C)(C)C)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C3646.9Semi standard non polar33892256
3-Hydroxymugineic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(O)CCN(C(C(=O)O)C(CN1CC(O[Si](C)(C)C(C)(C)C)C1C(=O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3778.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-Hydroxymugineic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9251000000-bf7467bb37f46ea2d2742017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Hydroxymugineic acid GC-MS (5 TMS) - 70eV, Positivesplash10-001i-1210229000-b49e3b09042f1c367f972017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Hydroxymugineic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 10V, Positive-QTOFsplash10-0uxr-0039000000-3305b0142c106948518b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 20V, Positive-QTOFsplash10-0uk9-1194000000-035567e679195dce38ac2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 40V, Positive-QTOFsplash10-0udi-2792000000-cbfaebcc31833d1a93dc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 10V, Negative-QTOFsplash10-006y-1191000000-7639d9d160803572a29b2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 20V, Negative-QTOFsplash10-0076-9050000000-08da1137fc263a2f85192016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 40V, Negative-QTOFsplash10-08fr-9330000000-ac962b3de358a7e0138b2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 10V, Negative-QTOFsplash10-000i-2529000000-fd503b73e9b27dd5357c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 20V, Negative-QTOFsplash10-0udi-1930000000-3f2fec87afc555760a762021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 40V, Negative-QTOFsplash10-0f7o-6910000000-ae6344551df70e6ebce32021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 10V, Positive-QTOFsplash10-000i-0119000000-0d70edc6bd0e7e0ca1d42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 20V, Positive-QTOFsplash10-0ff0-2893000000-f95d43415c0b1bef3ebf2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxymugineic acid 40V, Positive-QTOFsplash10-0ff3-6920000000-49eb8b49e4fdda433f012021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012127
KNApSAcK IDNot Available
Chemspider ID15954896
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13751493
PDB IDNot Available
ChEBI ID38158
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1839301
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .