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CHEBI:224616 - Bipolahydroquinone A

ChEBI IDCHEBI:224616
ChEBI NameBipolahydroquinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O7
Net Charge0
Average Mass490.637
Monoisotopic Mass490.29305
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]1[C@@H]2O
InChIInChI=1S/C28H42O7/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/h13-15,18-19,23,25,29,31-33H,8-12H2,1-7H3/t14-,15-,18+,19+,23+,25+,27-,28+/m0/s1
InChIKeyJUYDYDOXISKJMP-NMOAWYSDSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies L1-2 (ncbitaxon:2970998) - PubMed (31397570)
ChEBI Ontology
Outgoing Relation(s)
Bipolahydroquinone A (CHEBI:224616) is a xanthenes (CHEBI:38835)
IUPAC Name 
(2S,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-8,11,12-trihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-one