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CHEBI:215401 - Dongtinganthracene A

ChEBI IDCHEBI:215401
ChEBI NameDongtinganthracene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H36O14
Net Charge0
Average Mass668.648
Monoisotopic Mass668.21051
SMILESCOC(=O)c1c(O)c2c(c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)CO[C@@H](C)[C@H]4OC(C)=O)c1C=C(OC)C(=O)O)[C@H](O)[C@H](C)OC2
InChIInChI=1S/C34H36O14/c1-13-29(36)26-19(11-46-13)31(38)28(34(41)45-7)18(10-22(44-6)33(39)40)24(26)25-17-8-16(42-4)9-21(43-5)23(17)30(37)20-12-47-14(2)32(27(20)25)48-15(3)35/h8-10,13-14,29,32,36-38H,11-12H2,1-7H3,(H,39,40)/t13-,14-,29+,32+/m0/s1
InChIKeyTWSMIOGAEIQZNE-AZUZWUQPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32113065)
ChEBI Ontology
Outgoing Relation(s)
Dongtinganthracene A (CHEBI:215401) is a lignan (CHEBI:25036)
IUPAC Name 
3-[(3S,4S)-5-[(3S,4S)-4-acetyloxy-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-4,8-dihydroxy-7-methoxycarbonyl-3-methyl-3,4-dihydro-1H-isochromen-6-yl]-2-methoxyprop-2-enoic acid