CHEBI:205034 - 2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

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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 2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
ChEBI ID CHEBI:205034
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30O9
Net Charge 0
Average Mass 450.484
Monoisotopic Mass 450.18898
InChI InChI=1S/C23H30O9/c1-11-5-12-6-13-7-14(27-2)8-16(28-3)18(13)21(15(12)10-30-11)32-23-20(26)19(25)22(29-4)17(9-24)31-23/h6-8,11,17,19-20,22-26H,5,9-10H2,1-4H3/t11-,17?,19?,20?,22?,23?/m0/s1
InChIKey QEGDQNJTIWHKPB-NLOKDFFWSA-N
SMILES O1C(OC=2C3=C(OC)C=C(OC)C=C3C=C4C2CO[C@H](C4)C)C(O)C(O)C(C1CO)OC
Metabolite of Species Details
Conoideocrella (NCBI:txid1105318) See: DOI
ChEBI Ontology
Outgoing 2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol (CHEBI:205034) is a glycoside (CHEBI:24400)
IUPAC Name
2-[[(3S)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-10-yl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
Manual Xref Database
78445138 ChemSpider
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