CHEBI:181199 - (2R,3R,4S,6R)-2-((5-Hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

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ChEBI Name (2R,3R,4S,6R)-2-((5-Hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
ChEBI ID CHEBI:181199
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H26O8
Net Charge 0
Average Mass 406.431
Monoisotopic Mass 406.16277
InChI InChI=1S/C21H26O8/c1-21(2)8-7-12-14(23)19(11-6-4-3-5-10(11)18(12)29-21)28-20-17(26)16(25)15(24)13(9-22)27-20/h3-6,13,15-17,20,22-26H,7-9H2,1-2H3/t13-,15?,16+,17-,20-/m1/s1
InChIKey WVILKFILAZPSRT-MEAUJJKLSA-N
SMILES O1[C@@H](C(O)[C@H](O)[C@@H](O)[C@H]1OC2=C(O)C=3CCC(OC3C=4C2=CC=CC4)(C)C)CO
ChEBI Ontology
Outgoing (2R,3R,4S,6R)-2-((5-Hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromen-6-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (CHEBI:181199) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3R,4S,6R)-2-[(5-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol