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CHEBI:2592 - Allamandin

ChEBI IDCHEBI:2592
ChEBI NameAllamandin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H16O7
Net Charge0
Average Mass308.286
Monoisotopic Mass308.08960
SMILES[H][C@@]12O[C@H](O)[C@@H](C(=O)OC)[C@@]3([H])C=C[C@]4(OC(=O)/C(=C/C)[C@]4([H])O1)[C@@]23[H]
InChIInChI=1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7-,8-,9-,10+,13+,14+,15+/m1/s1
InChIKeyUEOKCUGZTJHPBW-AAKUPCIZSA-N
ChEBI Ontology
Outgoing Relation(s)
Allamandin (CHEBI:2592) is a terpene lactone (CHEBI:37668)
Synonym  Source
AllamandinKEGG COMPOUND
Manual XrefsDatabases
C09766KEGG COMPOUND
C00003069KNApSAcK
Registry NumbersSources
CAS:51820-82-7KEGG COMPOUND