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CHEBI:202255 - 17-Methoxycochlioquinone A

ChEBI IDCHEBI:202255
ChEBI Name17-Methoxycochlioquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O9
Net Charge0
Average Mass562.700
Monoisotopic Mass562.31418
SMILESCC[C@H](C)[C@@H](OC(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]3[C@@H]2O)C1=O
InChIInChI=1S/C31H46O9/c1-10-15(2)25(38-17(4)32)16(3)20-22(33)27-21(23(34)26(20)37-9)24(35)28-30(7)13-11-18(29(5,6)36)39-19(30)12-14-31(28,8)40-27/h15-16,18-19,24-25,28,35-36H,10-14H2,1-9H3/t15-,16-,18+,19+,24+,25+,28+,30-,31+/m0/s1
InChIKeyZJQALHWZSULQNP-IELNQHAWSA-N
Species of MetaboliteComponentSourceComments
Pyrenophora nisikadoi (ncbitaxon:2591492) - PubMed (15032487)
ChEBI Ontology
Outgoing Relation(s)
17-Methoxycochlioquinone A (CHEBI:202255) is a oxanes (CHEBI:46942)
IUPAC Name 
[(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-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
9630648ChemSpider