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CHEBI:218043 - Tricycloalternarene N

ChEBI IDCHEBI:218043
ChEBI NameTricycloalternarene N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESC/C(=C\CC[C@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)C(=O)O
InChIInChI=1S/C21H28O5/c1-12(5-4-6-13(2)20(24)25)14-9-10-21(3)16(14)11-15-18(26-21)8-7-17(22)19(15)23/h6,9,12,16-17,22H,4-5,7-8,10-11H2,1-3H3,(H,24,25)/b13-6+/t12-,16-,17+,21+/m0/s1
InChIKeyYHNVJMCINAHYRP-PQKXEHGWSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - DOI (10.1016/j.tetlet.2018.07.061)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene N (CHEBI:218043) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E,6S)-6-[(3aR,7R,9aS)-7-hydroxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylhept-2-enoic acid
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78439423ChemSpider