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CHEBI:174953 - (S)-Neomammein

ChEBI IDCHEBI:174953
ChEBI Name(S)-Neomammein
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESCCCc1cc(=O)oc2c(C(=O)C(C)CC)c(O)c(CC=C(C)C)c(O)c12
InChIInChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
InChIKeyFSOGIJPGPZWNGO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-Neomammein (CHEBI:174953) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
5,7-dihydroxy-8-(2-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
Manual XrefsDatabases
HMDB0039060HMDB
8514706ChemSpider