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CHEBI:212255 - Bioxanthracene 7

ChEBI IDCHEBI:212255
ChEBI NameBioxanthracene 7
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H34O10
Net Charge0
Average Mass578.614
Monoisotopic Mass578.21520
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5O)c2c1)[C@@H](O)[C@H](C)OC3
InChIInChI=1S/C32H34O10/c1-13-29(33)27-19(11-41-13)31(35)23-17(7-15(37-3)9-21(23)39-5)25(27)26-18-8-16(38-4)10-22(40-6)24(18)32(36)20-12-42-14(2)30(34)28(20)26/h7-10,13-14,29-30,33-36H,11-12H2,1-6H3/t13-,14-,29-,30+/m0/s1
InChIKeyAVAQRWVGWWNBIN-MZKQEYTJSA-N
Species of MetaboliteComponentSourceComments
Blackwellomyces pseudomilitaris (ncbitaxon:153663) - PubMed (11269712)
ChEBI Ontology
Outgoing Relation(s)
Bioxanthracene 7 (CHEBI:212255) is a lignan (CHEBI:25036)
IUPAC Name 
(3S,4R)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
Manual XrefsDatabases
78437464ChemSpider