CHEBI:168307 - 6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside)

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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 6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside)
ChEBI ID CHEBI:168307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36O17
Net Charge 0
Average Mass 692.623
Monoisotopic Mass 692.19525
InChI InChI=1S/C32H36O17/c1-11-20(36)28(45-13(3)33)24(40)31(43-11)48-18-10-17-19(22(38)27(18)42-5)23(39)30(26(47-17)15-6-8-16(35)9-7-15)49-32-25(41)29(46-14(4)34)21(37)12(2)44-32/h6-12,20-21,24-25,28-29,31-32,35-38,40-41H,1-5H3/t11-,12?,20-,21-,24?,25-,28?,29?,31-,32-/m0/s1
InChIKey OLDCKGQTUGLRNW-QMSKOXAYSA-N
SMILES O1C([C@H](O)C(OC(=O)C)[C@H](O)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5O[C@H]([C@H](O)C(OC(=O)C)C5O)C)=C(OC)C3O)C
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 6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside) (CHEBI:168307) is a flavonoids (CHEBI:72544)
6-Methoxykaempferol 3,7-bis(3-acetylrhamnoside) (CHEBI:168307) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,5S,6S)-2-[3-[(2S,3S,5S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
Manual Xrefs Databases
24845460 ChemSpider
LMPK12112845 LIPID MAPS
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