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CHEBI:9374 - Symlandine

ChEBI IDCHEBI:9374
ChEBI NameSymlandine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H31NO6
Net Charge0
Average Mass381.469
Monoisotopic Mass381.21514
SMILES[H][C@]12C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)=CCN1CC[C@H]2OC(=O)/C(C)=C\C
InChIInChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17+,20-/m0/s1
InChIKeyMVWPTZQHBOWRTF-QKJMJVMDSA-N
ChEBI Ontology
Outgoing Relation(s)
Symlandine (CHEBI:9374) is a pyrrolizines (CHEBI:38522)
Synonyms  Source
SymlandineKEGG COMPOUND
7-Angelyl-9-(-)-viridiflorylretronecineKEGG COMPOUND
Manual XrefsDatabases
C10408KEGG COMPOUND
C00002122KNApSAcK
Registry NumbersSources
CAS:74410-74-5KEGG COMPOUND