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CHEBI:217948 - Fusosteride A

ChEBI IDCHEBI:217948
ChEBI NameFusosteride A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C(CC(=O)O)C(=O)CC[C@@]21C
InChIInChI=1S/C21H32O3/c1-13(2)14(3)6-7-15(4)17-8-9-18-16(12-20(23)24)19(22)10-11-21(17,18)5/h6-7,13-15,17H,8-12H2,1-5H3,(H,23,24)/b7-6+/t14-,15+,17+,21+/m0/s1
InChIKeyISAZHEJNKGHHAA-GTBWGPCJSA-N
Species of MetaboliteComponentSourceComments
Fusarium solani (ncbitaxon:169388) - DOI (10.1016/j.tetlet.2018.05.082)
ChEBI Ontology
Outgoing Relation(s)
Fusosteride A (CHEBI:217948) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-4-yl]acetic acid
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