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CHEBI:168114 - Anhydrosophoradiol

Default Structure
ChEBI IDCHEBI:168114
ChEBI NameAnhydrosophoradiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O
Net Charge0
Average Mass424.713
Monoisotopic Mass424.37052
SMILESCC1(C)C=CC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3
InChIKeyDAYKSLOBCZJGHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Anhydrosophoradiol (CHEBI:168114) is a triterpenoid (CHEBI:36615)
IUPAC Name 
4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
Manual XrefsDatabases
35013890ChemSpider
HMDB0035265HMDB