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CHEBI:203357 - Cochlioquinone B

Default Structure
ChEBI IDCHEBI:203357
ChEBI NameCochlioquinone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
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)C3C2)C1=O
InChIInChI=1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3/t15-,16-,20?,21+,22+,27+,28+/m0/s1
InChIKeyNTPNSKLZWVYKGK-DMBAJPFZSA-N
Species of MetaboliteComponentSourceComments
Bipolaris cynodontis (ncbitaxon:74411) - DOI (10.1584/jpestics.23.281)
ChEBI Ontology
Outgoing Relation(s)
Cochlioquinone B (CHEBI:203357) is a oxanes (CHEBI:46942)
IUPAC Name 
(3R,4aR,6aR,12bR)-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
78436999ChemSpider