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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:08:48 UTC
Update Date2022-03-07 02:57:01 UTC
HMDB IDHMDB0041459
Secondary Accession Numbers
  • HMDB41459
Metabolite Identification
Common NameChamaemeloside
DescriptionChamaemeloside belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Chamaemeloside has been detected, but not quantified in, herbs and spices and roman camomiles (Chamaemelum nobile). This could make chamaemeloside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Chamaemeloside.
Structure
Data?1563863666
Synonyms
ValueSource
6''-O-(3-Hydroxy-3-methylglutaroyl)cosmosiinHMDB
7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-oneHMDB
Apigenin 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]HMDB
3-Hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]pentanoateGenerator
ChamaemelosideMeSH
Chemical FormulaC27H28O14
Average Molecular Weight576.5028
Monoisotopic Molecular Weight576.147905604
IUPAC Name3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]pentanoic acid
Traditional Name3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]pentanoic acid
CAS Registry Number173356-77-9
SMILES
CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O
InChI Identifier
InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)
InChI KeyWWGLAVUKYJELNJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentHydroxybenzoic acid derivatives
Alternative Parents
Substituents
  • Dihydroxybenzoic acid
  • Hydroxybenzoic acid
  • Salicylic acid
  • Salicylic acid or derivatives
  • Benzoic acid
  • Benzoyl
  • Resorcinol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Vinylogous acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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 Solubility469.1 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.4 g/LALOGPS
logP1.04ALOGPS
logP0.35ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)3.75ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area229.74 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity135.7 m³·mol⁻¹ChemAxon
Polarizability55.18 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+216.23430932474
DeepCCS[M-H]-213.83930932474
DeepCCS[M-2H]-246.98930932474
DeepCCS[M+Na]+222.13830932474
AllCCS[M+H]+225.832859911
AllCCS[M+H-H2O]+224.532859911
AllCCS[M+NH4]+227.032859911
AllCCS[M+Na]+227.332859911
AllCCS[M-H]-223.532859911
AllCCS[M+Na-2H]-225.532859911
AllCCS[M+HCOO]-227.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ChamaemelosideCC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O6422.5Standard polar33892256
ChamaemelosideCC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O4374.4Standard non polar33892256
ChamaemelosideCC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O5405.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Chamaemeloside,1TMS,isomer #1CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C5212.6Semi standard non polar33892256
Chamaemeloside,1TMS,isomer #2CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C5067.7Semi standard non polar33892256
Chamaemeloside,1TMS,isomer #3CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O5143.0Semi standard non polar33892256
Chamaemeloside,1TMS,isomer #4CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5190.6Semi standard non polar33892256
Chamaemeloside,1TMS,isomer #5CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5196.2Semi standard non polar33892256
Chamaemeloside,1TMS,isomer #6CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O5194.9Semi standard non polar33892256
Chamaemeloside,1TMS,isomer #7CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C5187.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #1CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C5029.3Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #10CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4962.5Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #11CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4969.1Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #12CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5044.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #13CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5047.9Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #14CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O5017.0Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #15CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C5029.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #16CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5085.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #17CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O5061.7Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #18CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C5066.4Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #19CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5105.8Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #2CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C5065.9Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #20CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5120.7Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #21CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5106.7Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #3CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C5100.5Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #4CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C5127.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #5CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C5100.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #6CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C5113.2Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #7CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C4939.5Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #8CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C4983.5Semi standard non polar33892256
Chamaemeloside,2TMS,isomer #9CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C4978.3Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #1CC(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4844.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #10CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C5000.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #11CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C4946.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #12CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C4972.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #13CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C5023.0Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #14CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C5043.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #15CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C5016.9Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #16CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C4864.1Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #17CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C4841.3Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #18CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4808.7Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #19CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4829.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #2CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4890.7Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #20CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C4894.3Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #21CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4874.0Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #22CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4877.1Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #23CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4902.9Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #24CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4930.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #25CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4894.9Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #26CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O4941.8Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #27CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4913.8Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #28CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C4927.1Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #29CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4942.9Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #3CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4931.3Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #30CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4968.1Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #31CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4931.5Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #32CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4992.4Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #33CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5004.1Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #34CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4982.5Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #35CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5045.0Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #4CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4893.2Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #5CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4918.8Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #6CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C4914.4Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #7CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C4943.1Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #8CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C4892.0Semi standard non polar33892256
Chamaemeloside,3TMS,isomer #9CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C4922.6Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #1CC(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4770.0Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #10CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4847.1Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #11CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C4827.5Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #12CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C4797.9Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #13CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C4810.8Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #14CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C4840.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #15CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C4858.2Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #16CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C4840.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #17CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C4891.2Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #18CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C4909.2Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #19CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C4889.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #2CC(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4757.8Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #20CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C4964.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #21CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C4776.6Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #22CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4774.7Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #23CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4777.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #24CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4766.9Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #25CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4778.4Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #26CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4761.7Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #27CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C4828.0Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #28CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4840.5Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #29CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4818.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #3CC(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4735.0Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #30CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C4866.9Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #31CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4862.4Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #32CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4870.6Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #33CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4853.8Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #34CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4899.3Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #35CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4949.0Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #4CC(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4759.0Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #5CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4813.9Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #6CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4778.7Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #7CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4794.8Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #8CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4849.1Semi standard non polar33892256
Chamaemeloside,4TMS,isomer #9CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C4871.9Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #1CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C5462.1Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #2CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C5348.8Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #3CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O5365.7Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #4CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5404.0Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #5CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5449.2Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #6CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5452.5Semi standard non polar33892256
Chamaemeloside,1TBDMS,isomer #7CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5438.8Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #1CC(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5501.1Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #10CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(=O)O[Si](C)(C)C(C)(C)C5456.4Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #11CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C5436.5Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #12CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5515.8Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #13CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5495.0Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #14CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5498.0Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #15CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5488.4Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #16CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5518.8Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #17CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5528.5Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #18CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5504.6Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #19CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5535.2Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #2CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C5516.5Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #20CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5553.5Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #21CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5538.9Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #3CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C5543.4Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #4CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C5543.3Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #5CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C5546.4Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #6CC(CC(=O)O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5531.4Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #7CC(O)(CC(=O)OCC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C5443.7Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #8CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C5477.0Semi standard non polar33892256
Chamaemeloside,2TBDMS,isomer #9CC(O)(CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C5446.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9142370000-dd0ceeac4e26a65391212017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (1 TMS) - 70eV, Positivesplash10-0540-9122126000-45d5d080cc0fb6eadca12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS ("Chamaemeloside,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Chamaemeloside GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 10V, Positive-QTOFsplash10-05fu-1250290000-9290889fbccbb03108d32015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 20V, Positive-QTOFsplash10-00di-0190020000-8a00904d21bdde0aa7ac2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 40V, Positive-QTOFsplash10-0fk9-1290000000-656f45ce4328a94f14172015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 10V, Negative-QTOFsplash10-02vl-2950180000-4e9bd919f5584633a8ec2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 20V, Negative-QTOFsplash10-014i-2980110000-a7530d9344b7dbf38d732015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 40V, Negative-QTOFsplash10-014i-2790000000-b1f2f3f9fd93c4928b972015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 10V, Negative-QTOFsplash10-004i-0000090000-31f25659b558c1347d5b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 20V, Negative-QTOFsplash10-004i-0000090000-c85768b05a6c31050f972021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 40V, Negative-QTOFsplash10-0a4i-0900530000-678372cedb0c785e8b552021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 10V, Positive-QTOFsplash10-004i-0000090000-bc35e2d4c008964950882021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 20V, Positive-QTOFsplash10-004i-0000090000-bc35e2d4c008964950882021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Chamaemeloside 40V, Positive-QTOFsplash10-0a6r-0600960000-b303657693ad85af9bb92021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021416
KNApSAcK IDC00013617
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound59492121
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1892661
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.. .