EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217213 - Peniroquesine A

ChEBI IDCHEBI:217213
ChEBI NamePeniroquesine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O2
Net Charge0
Average Mass372.593
Monoisotopic Mass372.30283
SMILESC[C@H]1CC[C@@H]2[C@@H](O)C[C@@H]3C(=C[C@]4(C)[C@H]3[C@H]3C(C)(C)CC[C@@]3(C)C[C@H]4O)[C@@]21C
InChIInChI=1S/C25H40O2/c1-14-7-8-16-18(26)11-15-17(25(14,16)6)12-24(5)19(27)13-23(4)10-9-22(2,3)21(23)20(15)24/h12,14-16,18-21,26-27H,7-11,13H2,1-6H3/t14-,15+,16+,18-,19+,20+,21-,23-,24-,25+/m0/s1
InChIKeyNHQMKSUTHDCJCC-DRKMRSHQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30156854)
ChEBI Ontology
Outgoing Relation(s)
Peniroquesine A (CHEBI:217213) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,2R,3S,7S,9R,10S,13R,14S,17S,18S)-4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.02,10.03,7.013,17]nonadec-11-ene-9,18-diol
Manual XrefsDatabases
78441764ChemSpider