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CHEBI:215006 - Tricycloalternarene K

ChEBI IDCHEBI:215006
ChEBI NameTricycloalternarene K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESCC(CCCC(C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@@H]3O)C(=O)O
InChIInChI=1S/C21H30O5/c1-12(5-4-6-13(2)20(24)25)14-9-10-21(3)16(14)11-15-17(22)7-8-18(23)19(15)26-21/h9,12-13,16,18,23H,4-8,10-11H2,1-3H3,(H,24,25)/t12?,13?,16-,18-,21+/m0/s1
InChIKeyFYUWZRMRONFOPG-WXVNMQLWSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1016/j.phytol.2017.12.009)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene K (CHEBI:215006) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
6-[(3aR,5S,9aS)-5-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylheptanoic acid
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65328930ChemSpider