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CHEBI:3199 - Bryophyllin A

ChEBI IDCHEBI:3199
ChEBI NameBryophyllin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H32O8
Net Charge0
Average Mass472.534
Monoisotopic Mass472.20972
SMILES[H][C@@]12CC[C@@]34C[C@@H]5C[C@@H](OC(C)(O5)O3)[C@]4(C=O)[C@@]1([H])[C@H](O)C[C@@]1(C)[C@]2(O)CC[C@]1([H])c1ccc(=O)oc1
InChIInChI=1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23?,24-,25+,26-/m0/s1
InChIKeyBMRNQSAXDJQXEL-FGNGNWDISA-N
ChEBI Ontology
Outgoing Relation(s)
Bryophyllin A (CHEBI:3199) has functional parent bufanolide (CHEBI:22934)
Bryophyllin A (CHEBI:3199) is a steroid lactone (CHEBI:26766)
Synonym  Source
Bryophyllin AKEGG COMPOUND
Manual XrefsDatabases
C08852KEGG COMPOUND
C00003606KNApSAcK
Registry NumbersSources
CAS:105608-32-0KEGG COMPOUND