CHEBI:215420 - Dongtinganthracene D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dongtinganthracene D
ChEBI ID CHEBI:215420
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H38O12
Net Charge 0
Average Mass 638.666
Monoisotopic Mass 638.23633
InChI InChI=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
InChIKey SNJQXNSKDPJKDP-YXWPBPKWSA-N
SMILES O=C(O[C@H]1C2=C(C3=C4C(=C(O)C5=C3[C@H](O)[C@H](C)OC5)C(OC)C(O)C(=C4)OC)C=6C(=C(OC)C=C(C6)OC)C(=C2CO[C@H]1C)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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