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CHEBI:217227 - Peniroquesine C

ChEBI IDCHEBI:217227
ChEBI NamePeniroquesine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O2
Net Charge0
Average Mass372.593
Monoisotopic Mass372.30283
SMILESC[C@H]1CC[C@@H]2CC[C@@H]3C(=C[C@]4(C)[C@H]3[C@H]3C(C)(C)CC[C@@]3(CO)C[C@H]4O)[C@@]21C
InChIInChI=1S/C25H40O2/c1-15-6-7-16-8-9-17-18(24(15,16)5)12-23(4)19(27)13-25(14-26)11-10-22(2,3)21(25)20(17)23/h12,15-17,19-21,26-27H,6-11,13-14H2,1-5H3/t15-,16+,17+,19+,20+,21-,23-,24+,25-/m0/s1
InChIKeyNCEYLDMAYOKQNV-HYZYDHGCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30156854)
ChEBI Ontology
Outgoing Relation(s)
Peniroquesine C (CHEBI:217227) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,2R,3S,7R,9R,10S,13R,14S,17R)-7-(hydroxymethyl)-4,4,10,13,14-pentamethylpentacyclo[10.7.0.02,10.03,7.013,17]nonadec-11-en-9-ol
Manual XrefsDatabases
78441766ChemSpider