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CHEBI:140126 - cassiaoccidentalin A

ChEBI IDCHEBI:140126
ChEBI Namecassiaoccidentalin A
Stars
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC27H28O13
Net Charge0
Average Mass560.508
Monoisotopic Mass560.15299
SMILESCC1O[C@@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@@H](O[C@@H]2OC(C)[C@H](O)[C@H](O)C2O)C(=O)[C@@H]1O
InChIInChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22,24-28,30-34,36H,1-2H3/t9?,10?,19-,20+,22-,24?,25-,26-,27-/m0/s1
InChIKeyKCQFNIYRJNSNLG-DVHOVLSXSA-N
ChEBI Ontology
Outgoing Relation(s)
cassiaoccidentalin A (CHEBI:140126) is a flavones (CHEBI:24043)
Manual XrefsDatabases
LMPK12110268LIPID MAPS