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CHEBI:201361 - Phyllospinarone

ChEBI IDCHEBI:201361
ChEBI NamePhyllospinarone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)CC1(O)C(=O)C(CO)=CC(O)=C1C3
InChIInChI=1S/C22H30O4/c1-20(2)7-4-8-21(3)15-10-16-17(24)9-14(12-23)19(25)22(16,26)11-13(15)5-6-18(20)21/h9,18,23-24,26H,4-8,10-12H2,1-3H3/t18-,21+,22?/m0/s1
InChIKeyNCQRNRZCIOFQIE-UTCGOKLKSA-N
Species of MetaboliteComponentSourceComments
Phyllostictaspeciesnarum (ncbitaxon:143791) - PubMed (18247573)
ChEBI Ontology
Outgoing Relation(s)
Phyllospinarone (CHEBI:201361) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(4aS,12bS)-7a,11-dihydroxy-9-(hydroxymethyl)-4,4,12b-trimethyl-1,2,3,4a,5,6,7,12-octahydrobenzo[a]anthracen-8-one
Manual XrefsDatabases
78442530ChemSpider