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CHEBI:215414 - Dongtinganthracene C

ChEBI IDCHEBI:215414
ChEBI NameDongtinganthracene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H38O13
Net Charge0
Average Mass666.676
Monoisotopic Mass666.23124
SMILESCOC1=Cc2c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)CO[C@@H](C)[C@H]4OC(C)=O)c3c(c(O)c2C(OC)(OC)C1=O)CO[C@@H](C)[C@H]3O
InChIInChI=1S/C35H38O13/c1-14-30(37)27-20(12-46-14)32(39)29-19(11-23(43-6)34(40)35(29,44-7)45-8)26(27)25-18-9-17(41-4)10-22(42-5)24(18)31(38)21-13-47-15(2)33(28(21)25)48-16(3)36/h9-11,14-15,30,33,37-39H,12-13H2,1-8H3/t14-,15-,30+,33+/m0/s1
InChIKeyGLGBMODJLBQORF-NFHWBHJRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32113065)
ChEBI Ontology
Outgoing Relation(s)
Dongtinganthracene C (CHEBI:215414) is a lignan (CHEBI:25036)
IUPAC Name 
[(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9,9-trimethoxy-3-methyl-8-oxo-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