CHEBI:214346 - Peniginsengin 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 Peniginsengin D
ChEBI ID CHEBI:214346
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O5
Net Charge 0
Average Mass 336.428
Monoisotopic Mass 336.19367
InChI InChI=1S/C19H28O5/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/h5,9,11,15,17-18,20,23H,4,6-8,10H2,1-3H3,(H,21,22)/t15-,17-,18-,19+/m1/s1
InChIKey AKBCBBUTZKOPGV-OWYHZJEWSA-N
SMILES O=C(O)CCC(=CCCC(=CC[C@@]12O[C@@H]1[C@H](O)C(=C[C@H]2O)C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peniginsengin D (CHEBI:214346) is a monoterpenoid (CHEBI:25409)
IUPAC Name
10-[(1S,2R,5R,6R)-2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-4,8-dimethyldeca-4,8-dienoic acid
Manual Xref Database
78439293 ChemSpider
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