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CHEBI:228096 - Pallidopenilline E

ChEBI IDCHEBI:228096
ChEBI NamePallidopenilline E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27ClO6
Net Charge0
Average Mass362.850
Monoisotopic Mass362.14962
SMILESCC(=O)OCCC(=O)[C@@H]1[C@H]2CC[C@H](C)[C@@H](O)[C@@H]2[C@H](Cl)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C17H27ClO6/c1-8-4-5-10-12(15(8)21)14(18)16(22)17(3,23)13(10)11(20)6-7-24-9(2)19/h8,10,12-16,21-23H,4-7H2,1-3H3/t8-,10-,12-,13-,14-,15+,16+,17-/m0/s1
InChIKeyFNAXQILHVJSNQO-VHNYBTCSSA-N
Species of MetaboliteComponentSourceComments
Penicillium thomii (ncbitaxon:36647) - PubMed (28006908)
ChEBI Ontology
Outgoing Relation(s)
Pallidopenilline E (CHEBI:228096) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
[3-[(1R,2S,3S,4S,4aR,5R,6S,8aR)-4-chloro-2,3,5-trihydroxy-2,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl]-3-oxopropyl] acetate
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60596907ChemSpider