CHEBI:218043 - Tricycloalternarene N

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tricycloalternarene N
ChEBI ID CHEBI:218043
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O5
Net Charge 0
Average Mass 360.450
Monoisotopic Mass 360.19367
InChI InChI=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
InChIKey YHNVJMCINAHYRP-PQKXEHGWSA-N
SMILES O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)[C@H](CC/C=C(/C(=O)O)\C)C)C)CC[C@H]1O
Metabolite of Species Details
Didymella (NCBI:txid55170) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78439423 ChemSpider
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