EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217317 - Peniciginseng B

Default Structure
ChEBI IDCHEBI:217317
ChEBI NamePeniciginseng B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC[C@@H](O)[C@@H]1CC=C[C@H](CCCCCCC(=O)O)O1
InChIInChI=1S/C18H32O4/c1-2-3-6-12-16(19)17-13-9-11-15(22-17)10-7-4-5-8-14-18(20)21/h9,11,15-17,19H,2-8,10,12-14H2,1H3,(H,20,21)/t15-,16+,17-/m0/s1
InChIKeyADGNIITUSSHJDU-BBWFWOEESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies YIM PH 30003 (ncbitaxon:1564175) - DOI (10.1016/j.phytol.2015.01.010)
ChEBI Ontology
Outgoing Relation(s)
Peniciginseng B (CHEBI:217317) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
7-[(2S,6S)-2-[(1R)-1-hydroxyhexyl]-3,6-dihydro-2H-pyran-6-yl]heptanoic acid
Manual XrefsDatabases
78442081ChemSpider