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CHEBI:215376 - Anhydroisocochlioquinone A

ChEBI IDCHEBI:215376
ChEBI NameAnhydroisocochlioquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
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)C3=C2)C1=O
InChIInChI=1S/C30H42O7/c1-9-16(2)26(35-18(4)31)17(3)19-14-21(32)20-15-22-29(7)12-10-23(28(5,6)34)36-24(29)11-13-30(22,8)37-27(20)25(19)33/h14-17,23-24,26,34H,9-13H2,1-8H3/t16-,17-,23+,24+,26+,29+,30+/m0/s1
InChIKeyVJUNTOKUTJFPFE-NMBYGHSTSA-N
Species of MetaboliteComponentSourceComments
Bipolaris oryzae (ncbitaxon:101162) - DOI (10.1016/j.tetlet.2007.05.151)
ChEBI Ontology
Outgoing Relation(s)
Anhydroisocochlioquinone A (CHEBI:215376) is a pyrans (CHEBI:26407)
IUPAC Name 
[(2S,3R,4S)-2-[(3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-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
28284319ChemSpider