CHEBI:169480 - 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside

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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 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
ChEBI ID CHEBI:169480
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34O11
Net Charge 0
Average Mass 534.558
Monoisotopic Mass 534.21011
InChI InChI=1S/C27H34O11/c1-12(2)4-9-15-16(36-27-24(34)22(32)20(30)18(11-28)37-27)10-17(35-3)19-21(31)23(33)25(38-26(15)19)13-5-7-14(29)8-6-13/h4-8,10,18,20-25,27-34H,9,11H2,1-3H3/t18?,20-,21+,22+,23+,24?,25-,27-/m1/s1
InChIKey PGDJCLDVQNXSOE-VAAXDRJISA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C3O[C@@H]([C@@H](O)[C@@H](O)C3=C(OC)C2)C4=CC=C(O)C=C4)CC=C(C)C)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside (CHEBI:169480) is a flavonoids (CHEBI:72544)
3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside (CHEBI:169480) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,4S,5S)-2-[[(2R,3S,4S)-3,4-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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