CHEBI:216981 - Penicilliumin A

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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 Penicilliumin A
ChEBI ID CHEBI:216981
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.494
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-14-6-7-18-20(2,3)8-5-9-21(18,4)16(14)11-22(26)12-17(24)15(13-23)10-19(22)25/h10,16,18,23,26H,1,5-9,11-13H2,2-4H3/t16-,18-,21+,22?/m0/s1
InChIKey WNDYBUMSCQZGJO-SPRYDSOMSA-N
SMILES O=C1C=C(C(=O)CC1(O)C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C)CO
Metabolite of Species Details
Penicilliumspecies F00120 (NCBI:txid1124686) See: PubMed
ChEBI Ontology
Outgoing Penicilliumin A (CHEBI:216981) is a prenylquinone (CHEBI:26255)
IUPAC Name
5-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-2-(hydroxymethyl)cyclohex-2-ene-1,4-dione
Manual Xref Database
29214521 ChemSpider
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