CHEBI:204677 - Tricycloalternarene 11b

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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 11b
ChEBI ID CHEBI:204677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O4
Net Charge 0
Average Mass 362.510
Monoisotopic Mass 362.24571
InChI InChI=1S/C22H34O4/c1-14(13-23)6-5-7-15(2)16-10-11-22(3)18(16)12-17-19(26-22)8-9-20(25-4)21(17)24/h10,14-15,18,20,23H,5-9,11-13H2,1-4H3
InChIKey BIQDSSZAZKOFQC-UHFFFAOYSA-N
SMILES O=C1C2=C(OC3(CC=C(C3C2)C(CCCC(CO)C)C)C)CCC1OC
Metabolite of Species Details
Alternaria alternata (NCBI:txid5599) See: DOI
ChEBI Ontology
Outgoing Tricycloalternarene 11b (CHEBI:204677) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
1-(7-hydroxy-6-methylheptan-2-yl)-7-methoxy-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual Xref Database
78443643 ChemSpider
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