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CHEBI:218037 - Tricycloalternarene M

ChEBI IDCHEBI:218037
ChEBI NameTricycloalternarene M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESC=C(C)C(=O)CC[C@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3
InChIInChI=1S/C21H28O4/c1-12(2)17(22)6-5-13(3)14-9-10-21(4)16(14)11-15-19(25-21)8-7-18(23)20(15)24/h9,13,16,18,23H,1,5-8,10-11H2,2-4H3/t13-,16-,18+,21+/m0/s1
InChIKeyVYACEWQNELOLJE-QKXXUAQYSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - DOI (10.1016/j.tetlet.2018.07.061)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene M (CHEBI:218037) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aR,7R,9aS)-7-hydroxy-3a-methyl-1-[(2S)-6-methyl-5-oxohept-6-en-2-yl]-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78439422ChemSpider