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CHEBI:3446 - Cascaroside A

ChEBI IDCHEBI:3446
ChEBI NameCascaroside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H32O14
Net Charge0
Average Mass580.539
Monoisotopic Mass580.17921
SMILES[H][C@@]1([C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c2C(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc21
InChIInChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKeyMNAYRSRTNMVAPR-ZHVWOXMGSA-N
ChEBI Ontology
Outgoing Relation(s)
Cascaroside A (CHEBI:3446) is a anthracenes (CHEBI:46955)
Synonym  Source
Cascaroside AKEGG COMPOUND
Manual XrefsDatabases
C10307KEGG COMPOUND
C00002799KNApSAcK
Registry NumbersSources
CAS:53823-08-8KEGG COMPOUND