CHEBI:228101 - Pallidopenilline G

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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 Pallidopenilline G
ChEBI ID CHEBI:228101
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O4
Net Charge 0
Average Mass 294.391
Monoisotopic Mass 294.18311
InChI InChI=1S/C17H26O4/c1-10-4-5-13-14(8-10)16(20)9-11(2)17(13)15(19)6-7-21-12(3)18/h9-10,13-14,16-17,20H,4-8H2,1-3H3/t10-,13-,14-,16+,17-/m0/s1
InChIKey QFIGERUCAGJGAS-MSKFBYFHSA-N
SMILES O=C([C@H]1C(=C[C@@H](O)[C@@H]2[C@@H]1CC[C@@H](C2)C)C)CCOC(=O)C
Metabolite of Species Details
Penicillium thomii (NCBI:txid36647) See: PubMed
ChEBI Ontology
Outgoing Pallidopenilline G (CHEBI:228101) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[3-[(1R,4S,4aS,6S,8aS)-4-hydroxy-2,6-dimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-oxopropyl] acetate
Manual Xref Database
60596909 ChemSpider
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