CHEBI:188118 - 3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside

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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'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside
ChEBI ID CHEBI:188118
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H34O16
Net Charge 0
Average Mass 638.575
Monoisotopic Mass 638.18469
InChI InChI=1S/C29H34O16/c1-38-12-4-5-13-14(8-12)42-26(11-6-15(39-2)20(32)16(7-11)40-3)27(19(13)31)45-28-24(36)22(34)18(10-41-28)44-29-25(37)23(35)21(33)17(9-30)43-29/h4-8,17-18,21-25,28-30,32-37H,9-10H2,1-3H3/t17?,18-,21+,22+,23+,24?,25?,28+,29+/m1/s1
InChIKey RVPRFBGAJPXOAQ-ACQXLXOTSA-N
SMILES O([C@@H]1OC([C@H](O)[C@H](O)C1O)CO)[C@H]2[C@H](O)C(O)[C@@H](OC2)OC3=C(OC4=C(C3=O)C=CC(OC)=C4)C5=CC(OC)=C(O)C(OC)=C5
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside (CHEBI:188118) is a flavonoids (CHEBI:72544)
3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3-galactosyl-(1->4)-xyloside (CHEBI:188118) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,4R,5R)-3,4-dihydroxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
Manual Xrefs Databases
24844353 ChemSpider
LMPK12111575 LIPID MAPS
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