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CHEBI:212347 - Cochlioquinone F

ChEBI IDCHEBI:212347
ChEBI NameCochlioquinone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O8
Net Charge0
Average Mass544.685
Monoisotopic Mass544.30362
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)C3=C2)C1=O
InChIInChI=1S/C31H44O8/c1-10-16(2)26(37-18(4)32)17(3)23-25(34)27-19(24(33)28(23)36-9)15-20-30(7)13-11-21(29(5,6)35)38-22(30)12-14-31(20,8)39-27/h15-17,21-22,26,35H,10-14H2,1-9H3/t16-,17-,21+,22+,26+,30+,31+/m1/s1
InChIKeyRXIPUCGEJRUDMX-ZALMUBQASA-N
Species of MetaboliteComponentSourceComments
Bipolaris (ncbitaxon:33194) - PubMed (25491333)
ChEBI Ontology
Outgoing Relation(s)
Cochlioquinone F (CHEBI:212347) is a pyrans (CHEBI:26407)
IUPAC Name 
[(2R,3S,4R)-2-[(3S,4aS,6aS,12bS)-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
Manual XrefsDatabases
78441505ChemSpider