Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:38:15 UTC
Update Date2022-03-07 02:53:53 UTC
HMDB IDHMDB0033864
Secondary Accession Numbers
  • HMDB33864
Metabolite Identification
Common NamePalmidin C
DescriptionPalmidin C belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Palmidin C has been detected, but not quantified in, green vegetables. This could make palmidin C a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Palmidin C.
Structure
Data?1563862472
Synonyms
ValueSource
Emodin-chrysophanol bianthroneHMDB
Chemical FormulaC30H22O7
Average Molecular Weight494.4915
Monoisotopic Molecular Weight494.136553058
IUPAC Name10-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracen-9-one
Traditional Name10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one
CAS Registry Number17177-86-5
SMILES
CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O
InChI Identifier
InChI=1S/C30H22O7/c1-12-6-16-23(15-4-3-5-19(32)25(15)29(36)26(16)20(33)8-12)24-17-7-13(2)9-21(34)27(17)30(37)28-18(24)10-14(31)11-22(28)35/h3-11,23-24,31-35H,1-2H3
InChI KeyVUUFXTUVVIEIMH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassAnthracenes
Sub ClassNot Available
Direct ParentAnthracenes
Alternative Parents
Substituents
  • Anthracene
  • Aryl ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Vinylogous acid
  • Ketone
  • Polyol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic 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 Solubility1.6e-05 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0037 g/LALOGPS
logP4.44ALOGPS
logP8.43ChemAxon
logS-5.1ALOGPS
pKa (Strongest Acidic)7.92ChemAxon
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area135.29 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity138.71 m³·mol⁻¹ChemAxon
Polarizability49.58 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]+212.15631661259
DarkChem[M-H]-211.05231661259
DeepCCS[M+H]+205.11530932474
DeepCCS[M-H]-202.74730932474
DeepCCS[M-2H]-235.98730932474
DeepCCS[M+Na]+211.02730932474
AllCCS[M+H]+215.932859911
AllCCS[M+H-H2O]+213.832859911
AllCCS[M+NH4]+217.832859911
AllCCS[M+Na]+218.432859911
AllCCS[M-H]-210.432859911
AllCCS[M+Na-2H]-209.832859911
AllCCS[M+HCOO]-209.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Palmidin CCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O5774.9Standard polar33892256
Palmidin CCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O2851.1Standard non polar33892256
Palmidin CCC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2C1C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(O)C=C2O4762.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Palmidin C,1TMS,isomer #1CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14448.4Semi standard non polar33892256
Palmidin C,1TMS,isomer #2CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C14498.9Semi standard non polar33892256
Palmidin C,1TMS,isomer #3CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14448.5Semi standard non polar33892256
Palmidin C,1TMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O)C=C(O[Si](C)(C)C)C=C43)C2=C14531.5Semi standard non polar33892256
Palmidin C,1TMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C43)C2=C14450.3Semi standard non polar33892256
Palmidin C,2TMS,isomer #1CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14310.7Semi standard non polar33892256
Palmidin C,2TMS,isomer #10CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C43)C2=C14349.8Semi standard non polar33892256
Palmidin C,2TMS,isomer #2CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14382.5Semi standard non polar33892256
Palmidin C,2TMS,isomer #3CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14372.9Semi standard non polar33892256
Palmidin C,2TMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14308.3Semi standard non polar33892256
Palmidin C,2TMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14350.6Semi standard non polar33892256
Palmidin C,2TMS,isomer #6CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=CC=C43)C2=C14423.8Semi standard non polar33892256
Palmidin C,2TMS,isomer #7CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C43)C2=C14352.6Semi standard non polar33892256
Palmidin C,2TMS,isomer #8CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14379.7Semi standard non polar33892256
Palmidin C,2TMS,isomer #9CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C43)C2=C14332.1Semi standard non polar33892256
Palmidin C,3TMS,isomer #1CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14249.7Semi standard non polar33892256
Palmidin C,3TMS,isomer #10CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C43)C2=C14253.5Semi standard non polar33892256
Palmidin C,3TMS,isomer #2CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C43)C2=C14193.5Semi standard non polar33892256
Palmidin C,3TMS,isomer #3CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14248.8Semi standard non polar33892256
Palmidin C,3TMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14319.3Semi standard non polar33892256
Palmidin C,3TMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14258.0Semi standard non polar33892256
Palmidin C,3TMS,isomer #6CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14229.0Semi standard non polar33892256
Palmidin C,3TMS,isomer #7CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(O[Si](C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14294.7Semi standard non polar33892256
Palmidin C,3TMS,isomer #8CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C43)C2=C14252.0Semi standard non polar33892256
Palmidin C,3TMS,isomer #9CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C43)C2=C14274.9Semi standard non polar33892256
Palmidin C,4TMS,isomer #1CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C43)C2=C14166.0Semi standard non polar33892256
Palmidin C,4TMS,isomer #2CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14230.8Semi standard non polar33892256
Palmidin C,4TMS,isomer #3CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O)C=C43)C2=C14132.2Semi standard non polar33892256
Palmidin C,4TMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(C)C=C43)C2=C14220.7Semi standard non polar33892256
Palmidin C,4TMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C43)C2=C14217.6Semi standard non polar33892256
Palmidin C,5TMS,isomer #1CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(O[Si](C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C43)C2=C14157.7Semi standard non polar33892256
Palmidin C,1TBDMS,isomer #1CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14656.3Semi standard non polar33892256
Palmidin C,1TBDMS,isomer #2CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C14719.0Semi standard non polar33892256
Palmidin C,1TBDMS,isomer #3CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14653.6Semi standard non polar33892256
Palmidin C,1TBDMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C43)C2=C14730.1Semi standard non polar33892256
Palmidin C,1TBDMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C43)C2=C14642.8Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #1CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14712.3Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #10CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C43)C2=C14765.5Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #2CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14818.3Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #3CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14780.2Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14706.8Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3C4=CC(O)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14780.1Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #6CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC=C43)C2=C14837.9Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #7CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C43)C2=C14773.1Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #8CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14787.8Semi standard non polar33892256
Palmidin C,2TBDMS,isomer #9CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C43)C2=C14740.8Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #1CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14808.0Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #10CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C43)C2=C14821.4Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #2CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C43)C2=C14767.0Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #3CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(O)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14830.1Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #4CC1=CC(O)=C2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14898.9Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #5CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3C4=CC=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14839.4Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #6CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3C4=CC=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14785.6Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #7CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3C4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(C)C=C43)C2=C14863.3Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #8CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O[Si](C)(C)C(C)(C)C)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C43)C2=C14834.1Semi standard non polar33892256
Palmidin C,3TBDMS,isomer #9CC1=CC(O)=C2C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=CC=C3C(C3C4=CC(C)=CC(O)=C4C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C43)C2=C14839.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Palmidin C GC-MS (Non-derivatized) - 70eV, Positivesplash10-07vr-1281900000-60b84263460558157ae22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Palmidin C GC-MS (2 TMS) - 70eV, Positivesplash10-00fr-5113139000-4674d844ae63ee4ab2e82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Palmidin 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 - Palmidin C 10V, Positive-QTOFsplash10-0002-0000900000-9cbc6690877d10dcc7742016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 20V, Positive-QTOFsplash10-0fba-0464900000-9555e8f745ab2830c0282016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 40V, Positive-QTOFsplash10-0kcl-0692500000-8ab13fad97606803a5422016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 10V, Negative-QTOFsplash10-0006-0000900000-743cfcec37efb178736c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 20V, Negative-QTOFsplash10-0006-0000900000-58bb02ad91af6a8897742016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 40V, Negative-QTOFsplash10-004r-1026900000-f64fd34d31cbfb12d8b92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 10V, Negative-QTOFsplash10-0006-0000900000-7c8023388dce204d5cc32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 20V, Negative-QTOFsplash10-0006-0000900000-b542df7052a67f8b99162021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 40V, Negative-QTOFsplash10-004l-0000900000-57673064979394222e552021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 10V, Positive-QTOFsplash10-0002-0000900000-fffd914d98886f9b0a9c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 20V, Positive-QTOFsplash10-0002-0000900000-4e2fc65296b4df93d4542021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Palmidin C 40V, Positive-QTOFsplash10-0ap0-1104900000-58514c6b70e5e32fa3942021-09-25Wishart 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 IDFDB012048
KNApSAcK IDC00057138
Chemspider ID4478487
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5320386
PDB IDNot Available
ChEBI ID169358
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1838911
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.. .