CHEBI:214195 - Tricycloalternarene 3a

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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 3a
ChEBI ID CHEBI:214195
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.468
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-13(2)6-5-7-14(3)15-10-11-21(4)17(15)12-16-18(22)8-9-19(23)20(16)24-21/h6,10,14,17,19,23H,5,7-9,11-12H2,1-4H3
InChIKey OAZOMSZXYCHYNG-UHFFFAOYSA-N
SMILES O=C1C2=C(OC3(CC=C(C3C2)C(CCC=C(C)C)C)C)C(O)CC1
Metabolite of Species Details
Alternaria chartarum (NCBI:txid119957) See: DOI
ChEBI Ontology
Outgoing Tricycloalternarene 3a (CHEBI:214195) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
5-hydroxy-3a-methyl-1-(6-methylhept-5-en-2-yl)-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual Xref Database
10259358 ChemSpider
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