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CHEBI:9184 - Solacapine

ChEBI IDCHEBI:9184
ChEBI NameSolacapine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H48N2O2
Net Charge0
Average Mass432.693
Monoisotopic Mass432.37158
SMILES[H][C@]1([C@@H](C)[C@@]2([H])[C@H](O)C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](N)CC[C@]5(C)[C@@]4([H])CC[C@]23C)NC[C@H](C)C[C@@H]1O
InChIInChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1
InChIKeySSDNUGHQUZHHEE-YGUMODFPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Solacapine (CHEBI:9184) is a steroid alkaloid (CHEBI:26767)
Synonym  Source
SolacapineKEGG COMPOUND
Manual XrefsDatabases
C10818KEGG COMPOUND
C00002259KNApSAcK
Registry NumbersSources
CAS:63785-22-8KEGG COMPOUND