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CHEBI:211981 - Pigmentosin B

ChEBI IDCHEBI:211981
ChEBI NamePigmentosin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O11
Net Charge0
Average Mass590.581
Monoisotopic Mass590.17881
SMILESCOc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(O)c2c(O)c4c(cc12)CC(C[C@@H](C)O)OC4=O)CC(C)OC3=O
InChIInChI=1S/C32H30O11/c1-12(33)5-16-7-15-9-18-26(30(37)24(15)32(39)43-16)20(35)11-22(41-4)28(18)27-17-8-14-6-13(2)42-31(38)23(14)29(36)25(17)19(34)10-21(27)40-3/h8-13,16,33-37H,5-7H2,1-4H3/t12-,13?,16?/m1/s1
InChIKeyDLZFZLMUYLMXOE-VEAWUBTESA-N
Species of MetaboliteComponentSourceComments
Gibellulaspecies (ncbitaxon:2204301) - PubMed (31921369)
ChEBI Ontology
Outgoing Relation(s)
Pigmentosin B (CHEBI:211981) is a organic heterotricyclic compound (CHEBI:26979)
Pigmentosin B (CHEBI:211981) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
6-[9,10-dihydroxy-3-[(2R)-2-hydroxypropyl]-7-methoxy-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl]-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one