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CHEBI:190042 - Farnesiferol B

ChEBI IDCHEBI:190042
ChEBI NameFarnesiferol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O4
Net Charge0
Average Mass382.500
Monoisotopic Mass382.21441
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13+/t20-,22+/m1/s1
InChIKeyXXKXCRGLMFAXTK-NOWJHPSZSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Farnesiferol B (CHEBI:190042) is a terpene lactone (CHEBI:37668)
IUPAC Name 
7-[(E)-5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
Manual XrefsDatabases
1399792ChemSpider
Registry NumbersSources
CAS:54990-68-0ChemIDplus