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CHEBI:207696 - Ochracene A

ChEBI IDCHEBI:207696
ChEBI NameOchracene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CC[C@@]2(C)[C@H](O)CC[C@@H](C(=O)O)[C@@H]2C=C1C
InChIInChI=1S/C15H22O3/c1-9-6-7-15(3)12(8-10(9)2)11(14(17)18)4-5-13(15)16/h6,8,11-13,16H,4-5,7H2,1-3H3,(H,17,18)/t11-,12+,13-,15-/m1/s1
InChIKeyJTFFSQBFSNENGR-QVHKTLOISA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceopetaliformis (ncbitaxon:176175) - PubMed (28598633)
ChEBI Ontology
Outgoing Relation(s)
Ochracene A (CHEBI:207696) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1R,4R,4aS,9aR)-1-hydroxy-6,7,9a-trimethyl-1,2,3,4,4a,9-hexahydrobenzo[7]annulene-4-carboxylic acid
Manual XrefsDatabases
59718404ChemSpider