CHEBI:140126 - cassiaoccidentalin A

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ChEBI Name cassiaoccidentalin A
ChEBI ID CHEBI:140126
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H28O13
Net Charge 0
Average Mass 560.504
Monoisotopic Mass 560.15299
InChI InChI=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
InChIKey KCQFNIYRJNSNLG-DVHOVLSXSA-N
SMILES C=1(OC2=C(C(C1)=O)C(=C(C(=C2)O)[C@H]3[C@H](C([C@@H](C(O3)C)O)=O)O[C@H]4C([C@H]([C@H](C(O4)C)O)O)O)O)C5=CC=C(C=C5)O
ChEBI Ontology
Outgoing cassiaoccidentalin A (CHEBI:140126) is a flavones (CHEBI:24043)
Manual Xref Database
LMPK12110268 LIPID MAPS
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Last Modified
13 February 2018