Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:52 UTC
Update Date2022-03-07 02:52:11 UTC
HMDB IDHMDB0029511
Secondary Accession Numbers
  • HMDB29511
Metabolite Identification
Common NameGarcinone C
DescriptionGarcinone C belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group. Garcinone C has been detected, but not quantified in, fruits and purple mangosteens (Garcinia mangostana). This could make garcinone C a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Garcinone C.
Structure
Data?1582753429
Synonyms
ValueSource
Garcinone CMeSH
Chemical FormulaC23H26O7
Average Molecular Weight414.4483
Monoisotopic Molecular Weight414.167853186
IUPAC Name1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Traditional Name1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one
CAS Registry Number76996-27-5
SMILES
CC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O
InChI Identifier
InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
InChI KeyHLOCLVMUASBDDP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct Parent8-prenylated xanthones
Alternative Parents
Substituents
  • 2-prenylated xanthone
  • 8-prenylated xanthone
  • Chromone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Pyran
  • Benzenoid
  • Tertiary alcohol
  • Heteroaromatic compound
  • Vinylogous acid
  • Polyol
  • Oxacycle
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point216 - 218 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.018 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.016 g/LALOGPS
logP3.21ALOGPS
logP4.79ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)7.23ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity114.21 m³·mol⁻¹ChemAxon
Polarizability44.47 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]+200.2530932474
DeepCCS[M-H]-197.89230932474
DeepCCS[M-2H]-231.70130932474
DeepCCS[M+Na]+206.89130932474
AllCCS[M+H]+199.732859911
AllCCS[M+H-H2O]+197.132859911
AllCCS[M+NH4]+202.132859911
AllCCS[M+Na]+202.832859911
AllCCS[M-H]-202.532859911
AllCCS[M+Na-2H]-202.932859911
AllCCS[M+HCOO]-203.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Garcinone CCC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O5359.9Standard polar33892256
Garcinone CCC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O3524.7Standard non polar33892256
Garcinone CCC(C)=CCC1=C(O)C2=C(OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C2=O)C=C1O3766.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Garcinone C,1TMS,isomer #1CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3434.7Semi standard non polar33892256
Garcinone C,1TMS,isomer #2CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O3503.2Semi standard non polar33892256
Garcinone C,1TMS,isomer #3CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3449.7Semi standard non polar33892256
Garcinone C,1TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3653.7Semi standard non polar33892256
Garcinone C,1TMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O3485.8Semi standard non polar33892256
Garcinone C,2TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3358.0Semi standard non polar33892256
Garcinone C,2TMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3517.6Semi standard non polar33892256
Garcinone C,2TMS,isomer #2CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3349.2Semi standard non polar33892256
Garcinone C,2TMS,isomer #3CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3315.2Semi standard non polar33892256
Garcinone C,2TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3471.1Semi standard non polar33892256
Garcinone C,2TMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O3401.5Semi standard non polar33892256
Garcinone C,2TMS,isomer #6CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3397.1Semi standard non polar33892256
Garcinone C,2TMS,isomer #7CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3537.3Semi standard non polar33892256
Garcinone C,2TMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3359.9Semi standard non polar33892256
Garcinone C,2TMS,isomer #9CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3492.0Semi standard non polar33892256
Garcinone C,3TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3341.5Semi standard non polar33892256
Garcinone C,3TMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3434.2Semi standard non polar33892256
Garcinone C,3TMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3291.7Semi standard non polar33892256
Garcinone C,3TMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3398.2Semi standard non polar33892256
Garcinone C,3TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3287.4Semi standard non polar33892256
Garcinone C,3TMS,isomer #5CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3411.8Semi standard non polar33892256
Garcinone C,3TMS,isomer #6CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3378.8Semi standard non polar33892256
Garcinone C,3TMS,isomer #7CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3326.7Semi standard non polar33892256
Garcinone C,3TMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3471.4Semi standard non polar33892256
Garcinone C,3TMS,isomer #9CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3471.6Semi standard non polar33892256
Garcinone C,4TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C3316.0Semi standard non polar33892256
Garcinone C,4TMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3476.1Semi standard non polar33892256
Garcinone C,4TMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3444.6Semi standard non polar33892256
Garcinone C,4TMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3391.5Semi standard non polar33892256
Garcinone C,4TMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O3425.2Semi standard non polar33892256
Garcinone C,5TMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C)C=C2OC3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(C)(C)O[Si](C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C3466.9Semi standard non polar33892256
Garcinone C,1TBDMS,isomer #1CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3692.0Semi standard non polar33892256
Garcinone C,1TBDMS,isomer #2CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O3741.4Semi standard non polar33892256
Garcinone C,1TBDMS,isomer #3CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3695.2Semi standard non polar33892256
Garcinone C,1TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O3904.7Semi standard non polar33892256
Garcinone C,1TBDMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O3718.7Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3838.8Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O3990.1Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #2CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3838.3Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #3CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3806.3Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3963.5Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O3885.0Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #6CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3899.0Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #7CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O4019.9Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O3856.5Semi standard non polar33892256
Garcinone C,2TBDMS,isomer #9CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O3990.9Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4010.8Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #10CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O4127.5Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3952.9Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4092.4Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C3934.5Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #5CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4094.7Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #6CC(C)=CCC1=C(O)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4055.9Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #7CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O4015.0Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #8CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O4160.1Semi standard non polar33892256
Garcinone C,3TBDMS,isomer #9CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O4169.4Semi standard non polar33892256
Garcinone C,4TBDMS,isomer #1CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4098.2Semi standard non polar33892256
Garcinone C,4TBDMS,isomer #2CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4320.8Semi standard non polar33892256
Garcinone C,4TBDMS,isomer #3CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4256.4Semi standard non polar33892256
Garcinone C,4TBDMS,isomer #4CC(C)=CCC1=C(O)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O[Si](C)(C)C(C)(C)C4194.7Semi standard non polar33892256
Garcinone C,4TBDMS,isomer #5CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C=C2OC3=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(C)(C)O[Si](C)(C)C(C)(C)C)=C3C(=O)C2=C1O4285.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Garcinone C GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4j-6109000000-c3d58c8b25dc9af0af952017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinone C GC-MS (3 TMS) - 70eV, Positivesplash10-014i-6200229000-995342400d5774f5a5912017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinone C 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 - Garcinone C 10V, Positive-QTOFsplash10-0002-0009100000-1a30299ae245407e4bd12016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 20V, Positive-QTOFsplash10-05mp-2009000000-07c6f51cc4790ed7dbfe2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 40V, Positive-QTOFsplash10-01bl-5349000000-83820365787f314448932016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 10V, Negative-QTOFsplash10-03di-0003900000-dfda92d20785d7e71fe22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 20V, Negative-QTOFsplash10-03dj-0019500000-319e3a1de4bbb41c853b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 40V, Negative-QTOFsplash10-004i-2947000000-d25ad3661e5b172a920c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 10V, Negative-QTOFsplash10-03di-0000900000-5f6c89be7c4177c42de72021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 20V, Negative-QTOFsplash10-03di-0002900000-ba6fcb62bc8f7daab3e72021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 40V, Negative-QTOFsplash10-01q9-1945000000-52e4e614c8aab21e24d72021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 10V, Positive-QTOFsplash10-0005-0009000000-db9c5ab9b2b96a49dfd32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 20V, Positive-QTOFsplash10-0btl-0039300000-ab84c5fcc06940d4c6782021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinone C 40V, Positive-QTOFsplash10-00dr-0091000000-974b1c109ac5b28665de2021-09-25Wishart 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 IDFDB000646
KNApSAcK IDC00030357
Chemspider ID28425567
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound44159808
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1810091
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.. .