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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:42:47 UTC
Update Date2022-03-07 02:55:45 UTC
HMDB IDHMDB0038398
Secondary Accession Numbers
  • HMDB38398
Metabolite Identification
Common NameGancaonin P
DescriptionGancaonin P belongs to the class of organic compounds known as 6-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 6-position. Thus, gancaonin p is considered to be a flavonoid. Gancaonin P has been detected, but not quantified in, herbs and spices. This could make gancaonin p a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Gancaonin P.
Structure
Data?1563863191
Synonyms
ValueSource
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-oneHMDB
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9ciHMDB
Chemical FormulaC20H18O7
Average Molecular Weight370.3527
Monoisotopic Molecular Weight370.10525293
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Traditional Namegancaonin P
CAS Registry Number129145-54-6
SMILES
CC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O
InChI Identifier
InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3
InChI KeyOCIIFJFJVOTFTN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 6-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 6-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct Parent6-prenylated flavones
Alternative Parents
Substituents
  • 6-prenylated flavone
  • 3-hydroxyflavone
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Pyranone
  • Benzenoid
  • Monocyclic benzene moiety
  • Pyran
  • Heteroaromatic compound
  • Vinylogous acid
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point238 - 240 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility9.46 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.036 g/LALOGPS
logP2.75ALOGPS
logP3.88ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)6.26ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity101.1 m³·mol⁻¹ChemAxon
Polarizability38.3 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+183.48530932474
DeepCCS[M-H]-181.12730932474
DeepCCS[M-2H]-215.25930932474
DeepCCS[M+Na]+190.40830932474
AllCCS[M+H]+188.732859911
AllCCS[M+H-H2O]+185.632859911
AllCCS[M+NH4]+191.632859911
AllCCS[M+Na]+192.432859911
AllCCS[M-H]-184.632859911
AllCCS[M+Na-2H]-184.232859911
AllCCS[M+HCOO]-183.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Gancaonin PCC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O5548.6Standard polar33892256
Gancaonin PCC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O3457.6Standard non polar33892256
Gancaonin PCC(C)=CCC1=C(O)C2=C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)C=C1O3603.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Gancaonin P,1TMS,isomer #1CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3538.5Semi standard non polar33892256
Gancaonin P,1TMS,isomer #2CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3547.4Semi standard non polar33892256
Gancaonin P,1TMS,isomer #3CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O3617.1Semi standard non polar33892256
Gancaonin P,1TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O3637.3Semi standard non polar33892256
Gancaonin P,1TMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O3611.8Semi standard non polar33892256
Gancaonin P,2TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3418.4Semi standard non polar33892256
Gancaonin P,2TMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O3498.0Semi standard non polar33892256
Gancaonin P,2TMS,isomer #2CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3445.5Semi standard non polar33892256
Gancaonin P,2TMS,isomer #3CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3420.3Semi standard non polar33892256
Gancaonin P,2TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3376.1Semi standard non polar33892256
Gancaonin P,2TMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3421.9Semi standard non polar33892256
Gancaonin P,2TMS,isomer #6CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3454.7Semi standard non polar33892256
Gancaonin P,2TMS,isomer #7CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3431.8Semi standard non polar33892256
Gancaonin P,2TMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O3470.1Semi standard non polar33892256
Gancaonin P,2TMS,isomer #9CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O3495.9Semi standard non polar33892256
Gancaonin P,3TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3382.2Semi standard non polar33892256
Gancaonin P,3TMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O3379.1Semi standard non polar33892256
Gancaonin P,3TMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3362.9Semi standard non polar33892256
Gancaonin P,3TMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3295.6Semi standard non polar33892256
Gancaonin P,3TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3336.6Semi standard non polar33892256
Gancaonin P,3TMS,isomer #5CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3331.8Semi standard non polar33892256
Gancaonin P,3TMS,isomer #6CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3310.3Semi standard non polar33892256
Gancaonin P,3TMS,isomer #7CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3358.3Semi standard non polar33892256
Gancaonin P,3TMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3335.0Semi standard non polar33892256
Gancaonin P,3TMS,isomer #9CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3384.7Semi standard non polar33892256
Gancaonin P,4TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C3354.1Semi standard non polar33892256
Gancaonin P,4TMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3364.6Semi standard non polar33892256
Gancaonin P,4TMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3356.6Semi standard non polar33892256
Gancaonin P,4TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3305.1Semi standard non polar33892256
Gancaonin P,4TMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O3332.6Semi standard non polar33892256
Gancaonin P,5TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(=O)C2=C1O[Si](C)(C)C3365.9Semi standard non polar33892256
Gancaonin P,1TBDMS,isomer #1CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C3827.2Semi standard non polar33892256
Gancaonin P,1TBDMS,isomer #2CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O3838.9Semi standard non polar33892256
Gancaonin P,1TBDMS,isomer #3CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O3861.3Semi standard non polar33892256
Gancaonin P,1TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O3886.5Semi standard non polar33892256
Gancaonin P,1TBDMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O3870.5Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C3954.9Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O4020.4Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #2CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C3978.4Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #3CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C3934.2Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C3932.5Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O3969.3Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #6CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O4008.4Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #7CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O3974.0Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O3972.3Semi standard non polar33892256
Gancaonin P,2TBDMS,isomer #9CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O4004.9Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4179.5Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O4150.7Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4129.8Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4049.9Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4094.5Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #5CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4095.1Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #6CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4044.8Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #7CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O4157.4Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O4107.7Semi standard non polar33892256
Gancaonin P,3TBDMS,isomer #9CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O4143.9Semi standard non polar33892256
Gancaonin P,4TBDMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4289.5Semi standard non polar33892256
Gancaonin P,4TBDMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4277.5Semi standard non polar33892256
Gancaonin P,4TBDMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4229.9Semi standard non polar33892256
Gancaonin P,4TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O[Si](C)(C)C(C)(C)C4180.7Semi standard non polar33892256
Gancaonin P,4TBDMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O[Si](C)(C)C(C)(C)C)C(=O)C2=C1O4268.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Gancaonin P GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-2019000000-2aed7e3e06fa5a5fc2ce2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gancaonin P GC-MS (4 TMS) - 70eV, Positivesplash10-0006-1000039000-2589a22e3b7c9d4388c02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gancaonin P 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 - Gancaonin P 10V, Positive-QTOFsplash10-00di-0009000000-4808faae8ade875ebe9d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 20V, Positive-QTOFsplash10-01b9-2119000000-397b093b4342976d47f52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 40V, Positive-QTOFsplash10-00xr-5911000000-e7a71379d03f23a923cc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 10V, Negative-QTOFsplash10-014i-0009000000-dc4af37866c3d2a5ec0a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 20V, Negative-QTOFsplash10-014i-0219000000-a4c1b19c12d84e7678d02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 40V, Negative-QTOFsplash10-0pdl-1911000000-193af4f9c45fcad18b3a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 10V, Positive-QTOFsplash10-00di-0009000000-4174ee4a4997ad682cb22021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 20V, Positive-QTOFsplash10-00di-0009000000-d60c3e7885e4b1d696852021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 40V, Positive-QTOFsplash10-00di-2194000000-851930390eb8cff83d912021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 10V, Negative-QTOFsplash10-014i-0009000000-a513ae5853785381b7a42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 20V, Negative-QTOFsplash10-014i-0049000000-9e7837928a634da50ea32021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gancaonin P 40V, Negative-QTOFsplash10-06di-2694000000-0d47da2669de542a11012021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB017749
KNApSAcK IDC00005012
Chemspider ID4587694
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5481966
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1867981
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.. .