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CHEBI:197172 - Sebiferic acid

ChEBI IDCHEBI:197172
ChEBI NameSebiferic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESC=C(C)C1CCC2(C)C1CCC1(C)C2CCC2C(C)(CCC(=O)O)C(C(=C)C)CCC21C
InChIInChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)
InChIKeySTWHPCOPDBFRNW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Sebiferic acid (CHEBI:197172) is a steroid acid (CHEBI:47891)
IUPAC Name 
3-[4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid
Manual XrefsDatabases
4479031ChemSpider
HMDB0036774HMDB