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CHEBI:224606 - Isocochlioquinone G

ChEBI IDCHEBI:224606
ChEBI NameIsocochlioquinone G
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SubmitterMetaboLights
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FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCC[C@@H](C)C(=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1C2=O
InChIInChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,25,29,31,33H,8-12H2,1-7H3/t14-,15+,18-,19-,25-,27+,28-/m1/s1
InChIKeyNZUVNIFDHVYNAE-FZEPAZPCSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies L1-2 (ncbitaxon:2970998) - PubMed (31397570)
ChEBI Ontology
Outgoing Relation(s)
Isocochlioquinone G (CHEBI:224606) is a xanthones (CHEBI:51149)
IUPAC Name 
(3R,4aR,6aR,12aR,12bR)-8,11-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4R)-4-methyl-3-oxohexan-2-yl]-2,3,4a,5,6,12a-hexahydro-1H-pyrano[3,2-a]xanthen-12-one
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128440401ChemSpider