CHEBI:168763 - Multiflorin A

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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 Multiflorin A
ChEBI ID CHEBI:168763
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H32O16
Net Charge 0
Average Mass 636.559
Monoisotopic Mass 636.16903
InChI InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10?,17?,19-,21?,22?,23?,24+,25+,28-,29+/m1/s1
InChIKey KXOPSQZLBRPJGX-RHTLDPNOSA-N
SMILES O([C@@H]1C(O)[C@H](O)[C@H](OC1C)OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)[C@@H]5OC([C@@H](O)C(O)C5O)COC(=O)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 Multiflorin A (CHEBI:168763) is a flavonoids (CHEBI:72544)
Multiflorin A (CHEBI:168763) is a glycoside (CHEBI:24400)
IUPAC Name
[(3S,6S)-6-[(3R,5S,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24844641 ChemSpider
LMPK12111899 LIPID MAPS
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