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CHEBI:215407 - Dongtinganthracene B

ChEBI IDCHEBI:215407
ChEBI NameDongtinganthracene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32O12
Net Charge0
Average Mass620.607
Monoisotopic Mass620.18938
SMILESCOC1=Cc2c(c(O)c3c(c2-c2c4c(c(O)c5c(OC)cc(OC)cc25)CO[C@@H](C)[C@H]4OC(C)=O)[C@H](O)[C@H](C)OC3)C(=O)C1=O
InChIInChI=1S/C33H32O12/c1-12-28(35)25-18(10-43-12)30(37)27-17(9-21(42-6)31(38)32(27)39)23(25)24-16-7-15(40-4)8-20(41-5)22(16)29(36)19-11-44-13(2)33(26(19)24)45-14(3)34/h7-9,12-13,28,33,35-37H,10-11H2,1-6H3/t12-,13-,28+,33+/m0/s1
InChIKeyYUBIPSKGEQUOMS-AYSWNVLESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32113065)
ChEBI Ontology
Outgoing Relation(s)
Dongtinganthracene B (CHEBI:215407) is a lignan (CHEBI:25036)
IUPAC Name 
[(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7-methoxy-3-methyl-8,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate