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CHEBI:4744 - Echimidine

ChEBI IDCHEBI:4744
ChEBI NameEchimidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H31NO7
Net Charge0
Average Mass397.468
Monoisotopic Mass397.21005
SMILES[H][C@]12C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)=CCN1CC[C@H]2OC(=O)/C(C)=C\C
InChIInChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1
InChIKeyHRSGCYGUWHGOPY-LYHHMGRNSA-N
ChEBI Ontology
Outgoing Relation(s)
Echimidine (CHEBI:4744) is a pyrrolizines (CHEBI:38522)
Synonyms  Source
EchimidineKEGG COMPOUND
7-Angelyl-9-echimidinylretronecineKEGG COMPOUND
Manual XrefsDatabases
C10299KEGG COMPOUND
C00002085KNApSAcK
Registry NumbersSources
CAS:520-68-3KEGG COMPOUND