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CHEBI:8390 - Premarrubiin

ChEBI IDCHEBI:8390
ChEBI NamePremarrubiin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12[C@]3(C)CCC[C@]1(C)C(=O)O[C@]2([H])C[C@@H](C)[C@]31CC[C@]2(C=COC2)O1
InChIInChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15+,17+,18+,19-,20-/m1/s1
InChIKeyOQLCWZJEAYGVQE-TXWGWWACSA-N
ChEBI Ontology
Outgoing Relation(s)
Premarrubiin (CHEBI:8390) is a γ-lactone (CHEBI:37581)
Synonym  Source
PremarrubiinKEGG COMPOUND
Manual XrefsDatabases
C09177KEGG COMPOUND
C00003476KNApSAcK
Registry NumbersSources
CAS:24703-43-3KEGG COMPOUND