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CHEBI:224635 - Cochlioquinone J

ChEBI IDCHEBI:224635
ChEBI NameCochlioquinone J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O7
Net Charge0
Average Mass502.648
Monoisotopic Mass502.29305
SMILESCC[C@H](C)C(=O)[C@@H](C)C1=C(OC)C(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3C2)C1=O
InChIInChI=1S/C29H42O7/c1-9-15(2)22(30)16(3)21-24(32)25-17(23(31)26(21)34-8)14-18-28(6)12-10-19(27(4,5)33)35-20(28)11-13-29(18,7)36-25/h15-16,18-20,33H,9-14H2,1-8H3/t15-,16-,18+,19+,20+,28+,29+/m0/s1
InChIKeyQSKLUOBTEYVPMP-LYSUHOOWSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies L1-2 (ncbitaxon:2970998) - PubMed (31397570)
ChEBI Ontology
Outgoing Relation(s)
Cochlioquinone J (CHEBI:224635) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-10-methoxy-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
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128435470ChemSpider