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CHEBI:227183 - Wentibianthrone B

ChEBI IDCHEBI:227183
ChEBI NameWentibianthrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H32O12
Net Charge0
Average Mass656.640
Monoisotopic Mass656.18938
SMILESCOc1cc(OC)c2c(c1)C(C1c3cc(O)cc(O)c3C(=O)c3c1cc(C)c(C(=O)OC[C@@H](O)CO)c3O)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C36H32O12/c1-14-5-19-27(22-10-18(46-3)11-25(47-4)31(22)34(43)29(19)23(40)6-14)28-20-7-15(2)26(36(45)48-13-17(39)12-37)33(42)32(20)35(44)30-21(28)8-16(38)9-24(30)41/h5-11,17,27-28,37-42H,12-13H2,1-4H3/t17-,27?,28?/m0/s1
InChIKeyCHNYWESALWQWFE-UYFYBKGWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus wentii (ncbitaxon:5066) - PubMed (31466836)
ChEBI Ontology
Outgoing Relation(s)
Wentibianthrone B (CHEBI:227183) is a anthracenes (CHEBI:46955)
IUPAC Name 
[(2S)-2,3-dihydroxypropyl] 1,6,8-trihydroxy-10-(5-hydroxy-2,4-dimethoxy-7-methyl-10-oxo-9H-anthracen-9-yl)-3-methyl-9-oxo-10H-anthracene-2-carboxylate
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128438395ChemSpider