CHEBI:218686 - Peniginsengin A

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ChEBI Name Peniginsengin A
ChEBI ID CHEBI:218686
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H26O5
Net Charge 0
Average Mass 334.412
Monoisotopic Mass 334.17802
InChI InChI=1S/C19H26O5/c1-12(7-8-16(21)22)5-4-6-13(2)9-10-19-15(20)11-14(3)17(23)18(19)24-19/h5,9,11,17-18,23H,4,6-8,10H2,1-3H3,(H,21,22)/b12-5+,13-9+/t17-,18-,19+/m1/s1
InChIKey HBBPSZMHZYLCEF-DLBFLGCKSA-N
SMILES O=C1C=C([C@@H](O)[C@@H]2[C@]1(O2)C/C=C(/CC/C=C(/CCC(=O)O)\C)\C)C
Metabolite of Species Details
Penicilliumspecies YIM PH 30003 (NCBI:txid1564175) See: PubMed
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peniginsengin A (CHEBI:218686) is a monoterpenoid (CHEBI:25409)
IUPAC Names
(4E,8E)-10-[(1R,5R,6R)-5-hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
10-[(1R,5R,6R)-5-hydroxy-4-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
Manual Xrefs Databases
68911849 ChemSpider
78442091 ChemSpider
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