CHEBI:219218 - (3S,4S)-5-[(3S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol

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ChEBI Name (3S,4S)-5-[(3S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
ChEBI ID CHEBI:219218
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H34O9
Net Charge 0
Average Mass 562.615
Monoisotopic Mass 562.22028
InChI InChI=1S/C32H34O9/c1-14-7-18-21(12-40-14)31(34)26-19(8-16(36-3)10-23(26)38-5)25(18)28-20-9-17(37-4)11-24(39-6)27(20)32(35)22-13-41-15(2)30(33)29(22)28/h8-11,14-15,30,33-35H,7,12-13H2,1-6H3/t14-,15-,30+/m0/s1
InChIKey WPGPKDAIJINNNL-BGPCXKNESA-N
SMILES O1[C@H]([C@@H](O)C2=C(C=3C=4C(C(O)=C5C3C[C@H](C)OC5)=C(OC)C=C(C4)OC)C6=CC(OC)=CC(=C6C(=C2C1)O)OC)C
Metabolite of Species Details
Cordyceps (NCBI:txid45234) See: PubMed
ChEBI Ontology
Outgoing (3S,4S)-5-[(3S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol (CHEBI:219218) is a lignan (CHEBI:25036)
IUPAC Name
(3S,4S)-5-[(3S)-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diol
Manual Xref Database
8992035 ChemSpider
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