Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:47:22 UTC
Update Date2022-03-07 02:56:54 UTC
HMDB IDHMDB0041137
Secondary Accession Numbers
  • HMDB41137
Metabolite Identification
Common NameCorchorosol A
DescriptionCorchorosol A, also known as helveticosol, belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. Corchorosol A is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863628
Synonyms
ValueSource
HelveticosolHMDB
Chemical FormulaC29H44O9
Average Molecular Weight536.6543
Monoisotopic Molecular Weight536.298533006
IUPAC Name4-{5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-2,5-dihydrofuran-2-one
Traditional Name4-{5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-7,11-dihydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-5H-furan-2-one
CAS Registry Number23838-13-3
SMILES
CC1OC(CC(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
InChI Identifier
InChI=1S/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3
InChI KeyKISYRRMFQYIIFQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassSteroid lactones
Direct ParentCardenolide glycosides and derivatives
Alternative Parents
Substituents
  • Cardanolide-glycoside
  • Steroidal glycoside
  • 19-hydroxysteroid
  • 14-hydroxysteroid
  • 5-hydroxysteroid
  • Hydroxysteroid
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • 2-furanone
  • Monosaccharide
  • Oxane
  • Cyclic alcohol
  • Dihydrofuran
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Tertiary alcohol
  • Carboxylic acid ester
  • Lactone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxide
  • Primary alcohol
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.27 g/LALOGPS
logP0.02ALOGPS
logP0.73ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)7.18ChemAxon
pKa (Strongest Basic)0.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area145.91 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity136.26 m³·mol⁻¹ChemAxon
Polarizability58.76 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityYesChemAxon
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]+220.08231661259
DarkChem[M-H]-210.66431661259
DeepCCS[M+H]+213.90730932474
DeepCCS[M-H]-211.51230932474
DeepCCS[M-2H]-244.39530932474
DeepCCS[M+Na]+219.82730932474
AllCCS[M+H]+226.832859911
AllCCS[M+H-H2O]+225.632859911
AllCCS[M+NH4]+227.932859911
AllCCS[M+Na]+228.332859911
AllCCS[M-H]-216.832859911
AllCCS[M+Na-2H]-219.132859911
AllCCS[M+HCOO]-221.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Corchorosol ACC1OC(CC(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC13372.3Standard polar33892256
Corchorosol ACC1OC(CC(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC14047.1Standard non polar33892256
Corchorosol ACC1OC(CC(O)C1O)OC1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC14982.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Corchorosol A,1TMS,isomer #1CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O4687.5Semi standard non polar33892256
Corchorosol A,1TMS,isomer #2CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C4694.4Semi standard non polar33892256
Corchorosol A,1TMS,isomer #3CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O4622.8Semi standard non polar33892256
Corchorosol A,1TMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O)C1O4686.9Semi standard non polar33892256
Corchorosol A,1TMS,isomer #5CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O4658.5Semi standard non polar33892256
Corchorosol A,2TMS,isomer #1CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O4563.9Semi standard non polar33892256
Corchorosol A,2TMS,isomer #10CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O4622.4Semi standard non polar33892256
Corchorosol A,2TMS,isomer #2CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O4624.6Semi standard non polar33892256
Corchorosol A,2TMS,isomer #3CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O4603.6Semi standard non polar33892256
Corchorosol A,2TMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4669.3Semi standard non polar33892256
Corchorosol A,2TMS,isomer #5CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C4590.0Semi standard non polar33892256
Corchorosol A,2TMS,isomer #6CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C4648.3Semi standard non polar33892256
Corchorosol A,2TMS,isomer #7CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O[Si](C)(C)C4622.7Semi standard non polar33892256
Corchorosol A,2TMS,isomer #8CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O)C1O4591.9Semi standard non polar33892256
Corchorosol A,2TMS,isomer #9CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O4592.4Semi standard non polar33892256
Corchorosol A,3TMS,isomer #1CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O4438.1Semi standard non polar33892256
Corchorosol A,3TMS,isomer #10CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O4495.7Semi standard non polar33892256
Corchorosol A,3TMS,isomer #2CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O4456.7Semi standard non polar33892256
Corchorosol A,3TMS,isomer #3CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4499.1Semi standard non polar33892256
Corchorosol A,3TMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O4448.3Semi standard non polar33892256
Corchorosol A,3TMS,isomer #5CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4523.3Semi standard non polar33892256
Corchorosol A,3TMS,isomer #6CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4517.3Semi standard non polar33892256
Corchorosol A,3TMS,isomer #7CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C4479.8Semi standard non polar33892256
Corchorosol A,3TMS,isomer #8CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O[Si](C)(C)C4492.6Semi standard non polar33892256
Corchorosol A,3TMS,isomer #9CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O[Si](C)(C)C4490.8Semi standard non polar33892256
Corchorosol A,4TMS,isomer #1CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O4307.6Semi standard non polar33892256
Corchorosol A,4TMS,isomer #2CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4338.0Semi standard non polar33892256
Corchorosol A,4TMS,isomer #3CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4372.4Semi standard non polar33892256
Corchorosol A,4TMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4340.2Semi standard non polar33892256
Corchorosol A,4TMS,isomer #5CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O)C1O[Si](C)(C)C4349.9Semi standard non polar33892256
Corchorosol A,5TMS,isomer #1CC1OC(OC2CCC3(CO[Si](C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C)C4CCC3(O[Si](C)(C)C)C2)CC(O[Si](C)(C)C)C1O[Si](C)(C)C4225.5Semi standard non polar33892256
Corchorosol A,1TBDMS,isomer #1CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O4901.5Semi standard non polar33892256
Corchorosol A,1TBDMS,isomer #2CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C(C)(C)C4918.5Semi standard non polar33892256
Corchorosol A,1TBDMS,isomer #3CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O4843.6Semi standard non polar33892256
Corchorosol A,1TBDMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O)C1O4887.0Semi standard non polar33892256
Corchorosol A,1TBDMS,isomer #5CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O4864.5Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #1CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O4986.3Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #10CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O5034.3Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #2CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O5024.5Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #3CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O[Si](C)(C)C(C)(C)C)C1O5017.6Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5092.5Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #5CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C(C)(C)C5021.4Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #6CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C(C)(C)C5060.7Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #7CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O[Si](C)(C)C(C)(C)C5049.9Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #8CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O)C1O5010.4Semi standard non polar33892256
Corchorosol A,2TBDMS,isomer #9CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O5017.7Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #1CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O5058.4Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #10CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O5127.9Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #2CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O[Si](C)(C)C(C)(C)C)C1O5080.4Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #3CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5114.4Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #4CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O[Si](C)(C)C(C)(C)C)C1O5066.8Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #5CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5126.6Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #6CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5135.2Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #7CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O)C2)CC(O)C1O[Si](C)(C)C(C)(C)C5115.5Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #8CC1OC(OC2CCC3(CO[Si](C)(C)C(C)(C)C)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O[Si](C)(C)C(C)(C)C5139.2Semi standard non polar33892256
Corchorosol A,3TBDMS,isomer #9CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O[Si](C)(C)C(C)(C)C)C4CCC3(O[Si](C)(C)C(C)(C)C)C2)CC(O)C1O[Si](C)(C)C(C)(C)C5119.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ce9-2429180000-b3d943cdf1fe051533b22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (2 TMS) - 70eV, Positivesplash10-0gb9-2430709000-b5b54bcb60c6348552662017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Corchorosol A GC-MS (TMS_3_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 10V, Positive-QTOFsplash10-0ldr-0005490000-64b99269b85ec1ec48922015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 20V, Positive-QTOFsplash10-000i-0209220000-83fbac02e1fea6d591722015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 40V, Positive-QTOFsplash10-000i-1339110000-bbcebc061c8bf2b9e4e42015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 10V, Negative-QTOFsplash10-000i-0003590000-7e4e6a002ae62a7b49f32015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 20V, Negative-QTOFsplash10-052r-1105920000-37301b82829b6857ca732015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 40V, Negative-QTOFsplash10-0a4r-4008900000-74ec68fe4b20a4480c482015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 10V, Positive-QTOFsplash10-000i-0008290000-aefd68e23089d36351712021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 20V, Positive-QTOFsplash10-0fy9-1508790000-b561bd6aa8639b512e972021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 40V, Positive-QTOFsplash10-01qa-4973300000-4af7df7e1421df9b9bfd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 10V, Negative-QTOFsplash10-000i-0001690000-4684ecb4b0aed5c9520c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 20V, Negative-QTOFsplash10-0019-2002970000-f0a518986739ab852c602021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Corchorosol A 40V, Negative-QTOFsplash10-0006-9102410000-8c98473484855c3aff5f2021-09-22Wishart 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 IDFDB021022
KNApSAcK IDNot Available
Chemspider ID3462642
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4254782
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.