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CHEBI:168763 - Multiflorin A

ChEBI IDCHEBI:168763
ChEBI NameMultiflorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O16
Net Charge0
Average Mass636.559
Monoisotopic Mass636.16903
SMILESCC(=O)OCC1O[C@@H](O[C@H]2C(C)O[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@@H](O)C2O)C(O)C(O)[C@@H]1O
InChIInChI=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
InChIKeyKXOPSQZLBRPJGX-RHTLDPNOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMPK12111899LIPID MAPS
24844641ChemSpider