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CHEBI:80738 - Cascaroside C

ChEBI IDCHEBI:80738
ChEBI NameCascaroside C
Stars
DownloadsMolfile
FormulaC27H32O13
Net Charge0
Average Mass564.540
Monoisotopic Mass564.18429
SMILES[H][C@@]1([C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(C)cc(O)c2C(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc21
InChIInChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKeyGQPFUOPPYJYZHE-ZHVWOXMGSA-N
ChEBI Ontology
Outgoing Relation(s)
Cascaroside C (CHEBI:80738) is a anthracenes (CHEBI:46955)
Manual XrefsDatabases
C16801KEGG COMPOUND
Registry NumbersSources
CAS:53823-09-9KEGG COMPOUND