CHEBI:203095 - (3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one

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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 (3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
ChEBI ID CHEBI:203095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O10
Net Charge 0
Average Mass 464.467
Monoisotopic Mass 464.16825
InChI InChI=1S/C23H28O10/c1-10-18(25)13-6-11-5-12(28-2)7-15(29-3)17(11)21(14(13)9-31-10)33-23-20(27)19(26)22(30-4)16(8-24)32-23/h5-7,10,16,19-20,22-24,26-27H,8-9H2,1-4H3/t10-,16?,19?,20?,22?,23?/m0/s1
InChIKey XFGOAHCVYXKTAC-OKJBPXBFSA-N
SMILES O=C1C=2C(=C(OC3OC(C(OC)C(C3O)O)CO)C4=C(OC)C=C(C=C4C2)OC)CO[C@H]1C
Metabolite of Species Details
Conoideocrella (NCBI:txid1105318) See: DOI
ChEBI Ontology
Outgoing (3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:203095) is a benzochromenone (CHEBI:64986)
(3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:203095) is a glycoside (CHEBI:24400)
IUPAC Name
(3S)-10-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
Manual Xref Database
78445104 ChemSpider
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