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CHEBI:207709 - Ochracene C

ChEBI IDCHEBI:207709
ChEBI NameOchracene C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC1=CC([C@@H](CCC(=O)O)C(=O)O)=C(C)CC[C@@H]1C
InChIInChI=1S/C15H22O4/c1-9-4-5-10(2)13(8-11(9)3)12(15(18)19)6-7-14(16)17/h8-9,12H,4-7H2,1-3H3,(H,16,17)(H,18,19)/t9-,12+/m0/s1
InChIKeyXKUBOSHDPRVCDA-JOYOIKCWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceopetaliformis (ncbitaxon:176175) - PubMed (28598633)
ChEBI Ontology
Outgoing Relation(s)
Ochracene C (CHEBI:207709) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2R)-2-[(5S)-2,5,6-trimethylcyclohepta-1,6-dien-1-yl]pentanedioic acid
Manual XrefsDatabases
78438967ChemSpider