CHEBI:2722 - Angularine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Angularine
ChEBI ID CHEBI:2722
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H25NO6
Net Charge 0
Average Mass 351.395
Monoisotopic Mass 351.16819
InChI InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1
InChIKey MCWACAVORNFEFS-HMNNQIDUSA-N
SMILES C\C=C1\CC(=C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing Angularine (CHEBI:2722) is a pyrrolizines (CHEBI:38522)
Synonym Source
Angularine KEGG COMPOUND
Manual Xrefs Databases
C00002080 KNApSAcK
C10279 KEGG COMPOUND
View more database links
Registry Number Type Source
1354-37-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014