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CHEBI:207003 - Cochlioquinone C

ChEBI IDCHEBI:207003
ChEBI NameCochlioquinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O
InChIInChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,23,25,32-33H,8-12H2,1-7H3/t14-,15-,18+,19+,23+,25+,27-,28+/m0/s1
InChIKeyKELSQTYNZXMABE-NMOAWYSDSA-N
Species of MetaboliteComponentSourceComments
Bipolaris cynodontis (ncbitaxon:74411) - DOI (10.1584/jpestics.23.281)
ChEBI Ontology
Outgoing Relation(s)
Cochlioquinone C (CHEBI:207003) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione
Manual XrefsDatabases
24603386ChemSpider