CHEBI:208799 - 17-O-methyltricycloalternarene D

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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 17-O-methyltricycloalternarene D
ChEBI ID CHEBI:208799
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O5
Net Charge 0
Average Mass 404.547
Monoisotopic Mass 404.25627
InChI InChI=1S/C24H36O5/c1-15(14-28-17(3)25)7-6-8-16(2)18-11-12-24(4)20(18)13-19-21(29-24)9-10-22(27-5)23(19)26/h11,15-16,20,22H,6-10,12-14H2,1-5H3/t15-,16+,20-,22+,24+/m0/s1
InChIKey FTWIBCFQLNKHTC-XEXUXASOSA-N
SMILES O=C1C2=C(O[C@@]3(CC=C([C@@H]3C2)[C@@H](CCC[C@@H](COC(=O)C)C)C)C)CC[C@H]1OC
Metabolite of Species Details
Alternaria alternata (NCBI:txid5599) See: PubMed
ChEBI Ontology
Outgoing 17-O-methyltricycloalternarene D (CHEBI:208799) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(2S,6R)-6-[(3aR,7R,9aS)-7-methoxy-3a-methyl-8-oxo-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-1-yl]-2-methylheptyl] acetate
Manual Xref Database
71048421 ChemSpider
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