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CHEBI:29516 - Ansatrienin A

ChEBI IDCHEBI:29516
ChEBI NameAnsatrienin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H48N2O8
Net Charge0
Average Mass636.786
Monoisotopic Mass636.34107
SMILES[H]C1(C(=O)N[C@H](C)C(=O)O[C@H]2C/C=C/C=C/C=C/[C@H](OC)CC(=O)NC3=CC(=O)C=C(CC/C=C(/C)[C@H](O)[C@H]2C)C3=O)CCCCC1
InChIInChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11+,23-14-/t24-,25+,29-,31-,33-/m0/s1
InChIKeyWWUVMHRJRCRFSL-UOZMSBJPSA-N
ChEBI Ontology
Outgoing Relation(s)
Ansatrienin A (CHEBI:29516) is a azamacrocycle (CHEBI:52898)
Ansatrienin A (CHEBI:29516) is a lactam (CHEBI:24995)
Synonym  Source
Ansatrienin AKEGG COMPOUND
Manual XrefsDatabases
C12098KEGG COMPOUND
C00000339KNApSAcK
Registry NumbersSources
CAS:80111-47-3KEGG COMPOUND