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CHEBI:202275 - Tricycloalternarene C

ChEBI IDCHEBI:202275
ChEBI NameTricycloalternarene C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCC(C)=CCCC(C)(O)[C@@H]1CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O
InChIInChI=1S/C21H32O4/c1-13(2)6-5-10-20(3,24)15-9-11-21(4)16(15)12-14-17(22)7-8-18(23)19(14)25-21/h6,15-16,18,23-24H,5,7-12H2,1-4H3/t15-,16+,18-,20?,21-/m1/s1
InChIKeyNVOASYIZKHWWFD-YDSGBYASSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene C (CHEBI:202275) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3aR,5R,9aS)-5-hydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a-methyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
30771207ChemSpider