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CHEBI:207703 - Ochracene B

ChEBI IDCHEBI:207703
ChEBI NameOchracene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=CC([C@@H](CCCO)C(=O)O)=C(C)CC[C@@H]1C
InChIInChI=1S/C15H24O3/c1-10-6-7-11(2)14(9-12(10)3)13(15(17)18)5-4-8-16/h9-10,13,16H,4-8H2,1-3H3,(H,17,18)/t10-,13+/m0/s1
InChIKeyXMWSGTDUFOXRIG-GXFFZTMASA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceopetaliformis (ncbitaxon:176175) - PubMed (28598633)
ChEBI Ontology
Outgoing Relation(s)
Ochracene B (CHEBI:207703) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2R)-5-hydroxy-2-[(5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl]pentanoic acid
Manual XrefsDatabases
59718405ChemSpider