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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:02:26 UTC
Update Date2022-03-07 02:55:05 UTC
HMDB IDHMDB0036860
Secondary Accession Numbers
  • HMDB36860
Metabolite Identification
Common NameGinkgolide C
DescriptionGinkgolide C belongs to the class of organic compounds known as ginkgolides and bilobalides. These are diterpene lactones with a structure based either on the gingkolide or the bilobalide skeleton. The ginkgolide skeleton is a very rigid structure consisting of hexacyclic C20 trilactone. The cis-fused F/A/D/C ring junction forms an empty semi-ball hole, the D ring contains a cage form tetrahydrofuran ring which occupies the center of the empty hole, and the oxygen atoms of the D,C and F ring and 10-hydroxyl group consist of an analogous crown ether structure. Ginkgolide C is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563862939
Synonyms
ValueSource
1,7-Dihydroxy-(1alpha,7beta)-ginkgolide aHMDB
1alpha,7beta-Dihydroxyginkgolide aHMDB
Ginkgokide cHMDB
Ginkgolide CMeSH
Chemical FormulaC20H24O11
Average Molecular Weight440.398
Monoisotopic Molecular Weight440.13186161
IUPAC Name8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
Traditional Name8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
CAS Registry Number15291-76-6
SMILES
CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C43C(C5O)C(C)(C)C)C12O
InChI Identifier
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3
InChI KeyAMOGMTLMADGEOQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as ginkgolides and bilobalides. These are diterpene lactones with a structure based either on the gingkolide or the bilobalide skeleton. The ginkgolide skeleton is a very rigid structure consisting of hexacyclic C20 trilactone. The cis-fused F/A/D/C ring junction forms an empty semi-ball hole, the D ring contains a cage form tetrahydrofuran ring which occupies the center of the empty hole, and the oxygen atoms of the D,C and F ring and 10-hydroxyl group consist of an analogous crown ether structure.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene lactones
Direct ParentGinkgolides and bilobalides
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point280 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility8.99 g/LALOGPS
logP0.24ALOGPS
logP-1.6ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)11.7ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area169.05 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity92.67 m³·mol⁻¹ChemAxon
Polarizability39.94 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+200.05631661259
DarkChem[M-H]-188.86131661259
DeepCCS[M-2H]-228.55130932474
DeepCCS[M+Na]+203.68130932474
AllCCS[M+H]+192.932859911
AllCCS[M+H-H2O]+190.832859911
AllCCS[M+NH4]+194.832859911
AllCCS[M+Na]+195.332859911
AllCCS[M-H]-202.232859911
AllCCS[M+Na-2H]-202.232859911
AllCCS[M+HCOO]-202.432859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ginkgolide C,1TMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O)C12O3392.2Semi standard non polar33892256
Ginkgolide C,1TMS,isomer #2CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O)C12O3425.4Semi standard non polar33892256
Ginkgolide C,1TMS,isomer #3CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O3364.3Semi standard non polar33892256
Ginkgolide C,1TMS,isomer #4CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C3428.4Semi standard non polar33892256
Ginkgolide C,2TMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O)C12O3339.4Semi standard non polar33892256
Ginkgolide C,2TMS,isomer #2CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O3287.2Semi standard non polar33892256
Ginkgolide C,2TMS,isomer #3CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C3334.1Semi standard non polar33892256
Ginkgolide C,2TMS,isomer #4CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O3320.1Semi standard non polar33892256
Ginkgolide C,2TMS,isomer #5CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C3370.7Semi standard non polar33892256
Ginkgolide C,2TMS,isomer #6CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O[Si](C)(C)C3312.0Semi standard non polar33892256
Ginkgolide C,3TMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O3238.1Semi standard non polar33892256
Ginkgolide C,3TMS,isomer #2CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C3266.8Semi standard non polar33892256
Ginkgolide C,3TMS,isomer #3CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O[Si](C)(C)C3225.9Semi standard non polar33892256
Ginkgolide C,3TMS,isomer #4CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O[Si](C)(C)C3257.7Semi standard non polar33892256
Ginkgolide C,4TMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C)C12O[Si](C)(C)C3176.9Semi standard non polar33892256
Ginkgolide C,1TBDMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O)C12O3640.9Semi standard non polar33892256
Ginkgolide C,1TBDMS,isomer #2CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O)C12O3661.2Semi standard non polar33892256
Ginkgolide C,1TBDMS,isomer #3CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O3613.6Semi standard non polar33892256
Ginkgolide C,1TBDMS,isomer #4CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C(C)(C)C3659.2Semi standard non polar33892256
Ginkgolide C,2TBDMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O)C12O3824.3Semi standard non polar33892256
Ginkgolide C,2TBDMS,isomer #2CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O3785.3Semi standard non polar33892256
Ginkgolide C,2TBDMS,isomer #3CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C(C)(C)C3810.5Semi standard non polar33892256
Ginkgolide C,2TBDMS,isomer #4CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O3808.6Semi standard non polar33892256
Ginkgolide C,2TBDMS,isomer #5CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C(C)(C)C3836.7Semi standard non polar33892256
Ginkgolide C,2TBDMS,isomer #6CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O[Si](C)(C)C(C)(C)C3796.1Semi standard non polar33892256
Ginkgolide C,3TBDMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O3950.3Semi standard non polar33892256
Ginkgolide C,3TBDMS,isomer #2CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O)C12O[Si](C)(C)C(C)(C)C3982.7Semi standard non polar33892256
Ginkgolide C,3TBDMS,isomer #3CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O[Si](C)(C)C(C)(C)C3952.1Semi standard non polar33892256
Ginkgolide C,3TBDMS,isomer #4CC1C(=O)OC2C(O)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O[Si](C)(C)C(C)(C)C3975.4Semi standard non polar33892256
Ginkgolide C,4TBDMS,isomer #1CC1C(=O)OC2C(O[Si](C)(C)C(C)(C)C)C34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C(C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C(C)(C)C)C12O[Si](C)(C)C(C)(C)C4064.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (Non-derivatized) - 70eV, Positivesplash10-0595-6309400000-191426c7552444bc53492017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (3 TMS) - 70eV, Positivesplash10-03fu-9120058000-8c999eecf6a79f4fe8c72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginkgolide C GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-001i-0319200000-fda07b5a5183cf8455282021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-01t9-2900000000-7bd5c28f44b536287def2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-004i-0920000000-a1d2869ffd2904ead0332021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-001r-0009700000-6b82740306292dc9793d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-004i-0930000000-1eed537fdbdfbd908d202021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-004j-0910000000-bb08669ddb558c40339a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-056r-0910000000-ce602300ca87a0dfa2be2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0a6r-0494000000-b62e40a43870f9f693582021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-001r-0009800000-94020adde528d4b1fb1c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-004i-1920000000-1354d069ff5c9c47d0b02021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0a6r-0395000000-af075c1b6d49cd2cef0c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0006-0000900000-73fadd2e212b8f3a37d32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0006-0133900000-118cdc86a8eca92e55f72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-004i-2910000000-203e4a9095298242cd172021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-001r-0009800000-656236784494b55a14a82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0a6r-0495000000-1dcf858617e93e129c2b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-001i-0319300000-190c2c0c711839ef01da2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0006-0122900000-06b311cd6acac3d910002021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Ginkgolide C 6V, Positive-QTOFsplash10-0006-0000900000-441bc254beecbf828fb92021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginkgolide C 10V, Positive-QTOFsplash10-0006-0002900000-b397f1492067249ed8562015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginkgolide C 20V, Positive-QTOFsplash10-006x-1019800000-68c5a273b1c5b7262ffa2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginkgolide C 40V, Positive-QTOFsplash10-05i0-6009400000-9635694ced9239fd44372015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginkgolide C 10V, Negative-QTOFsplash10-000i-0004900000-5e9ca224ba7b77046fee2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginkgolide C 20V, Negative-QTOFsplash10-007a-1009600000-9cac26a87fe1ac3502cb2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginkgolide C 40V, Negative-QTOFsplash10-0002-1019000000-45222b49116d855602072015-04-25Wishart 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
  • 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 IDFDB015814
KNApSAcK IDC00035831
Chemspider ID141541
KEGG Compound IDC07603
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound161120
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.