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CHEBI:228088 - 15-deacetylpallidopenilline B

ChEBI IDCHEBI:228088
ChEBI Name15-deacetylpallidopenilline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)OCCC(=O)[C@@H]1[C@H]2CC[C@H](CO)C[C@@H]2C=C[C@@]1(C)O
InChIInChI=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
InChIKeyQKFGCQVQSIROLT-CUINURIISA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - PubMed (28006908)
ChEBI Ontology
Outgoing Relation(s)
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
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60596903ChemSpider