CHEBI:9672 - triangularine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triangularine
ChEBI ID CHEBI:9672
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H25NO5
Net Charge 0
Average Mass 335.39484
Monoisotopic Mass 335.17327
InChI InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1
InChIKey GOENJWUGVSLZDQ-NCLHDQKXSA-N
SMILES [H][C@@]12[C@@H](CCN1CC=C2COC(=O)C(\CO)=C/C)OC(=O)C(\C)=C/C
ChEBI Ontology
Outgoing triangularine (CHEBI:9672) is a but-2-enoate ester (CHEBI:50654)
triangularine (CHEBI:9672) is a pyrrolizines (CHEBI:38522)
IUPAC Name
[(1R,7aR)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate
Synonyms Sources
6-Angelyl-9-sarracinylretronecine KEGG COMPOUND
Triangularine KEGG COMPOUND
Manual Xrefs Databases
C00002124 KNApSAcK
C10410 KEGG COMPOUND
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Registry Numbers Types Sources
5856068 Beilstein Registry Number Beilstein
87340-27-0 CAS Registry Number ChemIDplus
87340-27-0 CAS Registry Number NIST Chemistry WebBook
Last Modified
28 July 2014