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CHEBI:81268 - Magnoloside A

ChEBI IDCHEBI:81268
ChEBI NameMagnoloside A
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FormulaC29H36O15
Net Charge0
Average Mass624.592
Monoisotopic Mass624.20542
SMILESCC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O
InChIInChI=1S/C29H36O15/c1-13-22(36)24(38)25(39)28(41-13)44-27-26(43-21(35)7-4-14-2-5-16(31)18(33)10-14)23(37)20(12-30)42-29(27)40-9-8-15-3-6-17(32)19(34)11-15/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+
InChIKeyQLZWUGOYBODRLF-QPJJXVBHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Magnoloside A (CHEBI:81268) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
C17678KEGG COMPOUND