CHEBI:206095 - Penioxalicin

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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 Penioxalicin
ChEBI ID CHEBI:206095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H28O6
Net Charge 0
Average Mass 364.438
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c1-10(12(3)18(23)24)6-7-14-11(2)8-15-17(13(4)19(25)26-15)20(14,5)9-16(21)22/h13-15,17H,2,6-9H2,1,3-5H3,(H,21,22)(H,23,24)/b12-10+/t13-,14-,15-,17+,20+/m0/s1
InChIKey KZCDZOUEHCXSSP-AOXFRAORSA-N
SMILES O=C1O[C@H]2CC(=C)[C@@H]([C@]([C@@H]2[C@@H]1C)(CC(=O)O)C)CC/C(=C(/C(=O)O)\C)/C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Penioxalicin (CHEBI:206095) is a benzofurans (CHEBI:35259)
IUPAC Name
(E)-5-[(3S,3aS,4R,5S,7aS)-4-(carboxymethyl)-3,4-dimethyl-6-methylidene-2-oxo-3a,5,7,7a-tetrahydro-3H-1-benzouran-5-yl]-2,3-dimethylpent-2-enoic acid