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CHEBI:202492 - 11-O-methyl-epi-cochlioquinone A

ChEBI IDCHEBI:202492
ChEBI Name11-O-methyl-epi-cochlioquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O8
Net Charge0
Average Mass546.701
Monoisotopic Mass546.31927
SMILESCC[C@H](C)[C@@H](OC(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]2OC)C1=O
InChIInChI=1S/C31H46O8/c1-10-16(2)25(37-18(4)32)17(3)19-15-20(33)23-26(24(19)34)39-31(8)14-12-22-30(7,28(31)27(23)36-9)13-11-21(38-22)29(5,6)35/h15-17,21-22,25,27-28,35H,10-14H2,1-9H3/t16-,17-,21+,22+,25+,27+,28+,30-,31-/m0/s1
InChIKeyVLSHHPMBFRCFNM-UVBOGGLASA-N
Species of MetaboliteComponentSourceComments
Pyrenophora nisikadoi (ncbitaxon:2591492) - PubMed (15032487)
ChEBI Ontology
Outgoing Relation(s)
11-O-methyl-epi-cochlioquinone A (CHEBI:202492) is a oxanes (CHEBI:46942)
IUPAC Name 
[(2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-3-(2-hydroxypropan-2-yl)-12-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
Manual XrefsDatabases
8160514ChemSpider