CHEBI:228088 - 15-deacetylpallidopenilline B

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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 15-deacetylpallidopenilline B
ChEBI ID CHEBI:228088
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O5
Net Charge 0
Average Mass 310.390
Monoisotopic Mass 310.17802
InChI InChI=1S/C17H26O5/c1-11(19)22-8-6-15(20)16-14-4-3-12(10-18)9-13(14)5-7-17(16,2)21/h5,7,12-14,16,18,21H,3-4,6,8-10H2,1-2H3/t12-,13-,14-,16-,17+/m0/s1
InChIKey QKFGCQVQSIROLT-CUINURIISA-N
SMILES O=C([C@H]1[C@](O)(C=C[C@@H]2[C@@H]1CC[C@@H](C2)CO)C)CCOC(=O)C
Metabolite of Species Details
Penicillium thomii (NCBI:txid36647) See: PubMed
ChEBI Ontology
Outgoing 15-deacetylpallidopenilline B (CHEBI:228088) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
[3-[(1R,2R,4aR,6S,8aS)-2-hydroxy-6-(hydroxymethyl)-2-methyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-3-oxopropyl] acetate
Manual Xref Database
60596903 ChemSpider
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