EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215420 - Dongtinganthracene D

Default Structure
ChEBI IDCHEBI:215420
ChEBI NameDongtinganthracene D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38O12
Net Charge0
Average Mass638.666
Monoisotopic Mass638.23633
SMILESCOC1=Cc2c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)CO[C@@H](C)[C@H]4OC(C)=O)c3c(c(O)c2C(OC)C1O)CO[C@@H](C)[C@H]3O
InChIInChI=1S/C34H38O12/c1-13-29(36)26-19(11-44-13)31(38)28-18(10-22(42-6)32(39)34(28)43-7)24(26)25-17-8-16(40-4)9-21(41-5)23(17)30(37)20-12-45-14(2)33(27(20)25)46-15(3)35/h8-10,13-14,29,32-34,36-39H,11-12H2,1-7H3/t13-,14-,29+,32?,33+,34?/m0/s1
InChIKeySNJQXNSKDPJKDP-YXWPBPKWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32113065)
ChEBI Ontology
Outgoing Relation(s)
Dongtinganthracene D (CHEBI:215420) is a lignan (CHEBI:25036)
IUPAC Name 
[(3S,4S)-10-hydroxy-7,9-dimethoxy-3-methyl-5-[(3S,4S)-4,8,10-trihydroxy-7,9-dimethoxy-3-methyl-3,4,8,9-tetrahydro-1H-benzo[g]isochromen-5-yl]-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate