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CHEBI:199131 - Acremolactone B

ChEBI IDCHEBI:199131
ChEBI NameAcremolactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO5
Net Charge0
Average Mass437.536
Monoisotopic Mass437.22022
SMILESCCC/C=C(\C)[C@@H](O)[C@H]1C(=O)O[C@@]2(C)[C@@H]1c1cnc(-c3ccccc3C)c(O)c1C[C@@H]2O
InChIInChI=1S/C26H31NO5/c1-5-6-9-15(3)23(29)20-21-18-13-27-22(16-11-8-7-10-14(16)2)24(30)17(18)12-19(28)26(21,4)32-25(20)31/h7-11,13,19-21,23,28-30H,5-6,12H2,1-4H3/b15-9+/t19-,20-,21+,23+,26+/m0/s1
InChIKeyPGFXNTBJNUFXCN-YRANEMMESA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (15618640)
ChEBI Ontology
Outgoing Relation(s)
Acremolactone B (CHEBI:199131) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
(6S,6aS,9S,9aS)-4,6-dihydroxy-9-[(E,1S)-1-hydroxy-2-methylhex-2-enyl]-6a-methyl-3-(2-methylphenyl)-5,6,9,9a-tetrahydrouro[2,3-h]isoquinolin-8-one
Manual XrefsDatabases
78436461ChemSpider