CHEBI:208481 - 10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-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 10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
ChEBI ID CHEBI:208481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28O11
Net Charge 0
Average Mass 480.466
Monoisotopic Mass 480.16316
InChI InChI=1S/C23H28O11/c1-9-17(25)16-12(8-32-9)21(15-11(18(16)26)5-10(29-2)6-13(15)30-3)34-23-20(28)19(27)22(31-4)14(7-24)33-23/h5-6,9,14,19-20,22-24,26-28H,7-8H2,1-4H3/t9?,14-,19-,20-,22-,23+/m1/s1
InChIKey WVVBYVSSTCARRR-UAPCURFKSA-N
SMILES O=C1C2=C(O)C=3C(=C(OC)C=C(C3)OC)C(=C2COC1C)O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@H]4O)O)CO
Metabolite of Species Details
Conoideocrella (NCBI:txid1105318) See: DOI
ChEBI Ontology
Outgoing 10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:208481) is a benzochromenone (CHEBI:64986)
10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one (CHEBI:208481) is a glycoside (CHEBI:24400)
IUPAC Name
10-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-5-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromen-4-one
Manual Xref Database
78437919 ChemSpider
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