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CHEBI:217220 - Peniroquesine B

ChEBI IDCHEBI:217220
ChEBI NamePeniroquesine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O
Net Charge0
Average Mass356.594
Monoisotopic Mass356.30792
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(C)C[C@H]4O)[C@@]21C
InChIInChI=1S/C25H40O/c1-15-7-8-16-9-10-17-18(25(15,16)6)13-24(5)19(26)14-23(4)12-11-22(2,3)21(23)20(17)24/h13,15-17,19-21,26H,7-12,14H2,1-6H3/t15-,16+,17+,19+,20+,21-,23-,24-,25+/m0/s1
InChIKeyYIPZSYQSAKRRRI-RECIUYGFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30156854)
ChEBI Ontology
Outgoing Relation(s)
Peniroquesine B (CHEBI:217220) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1S,2R,3S,7S,9R,10S,13R,14S,17R)-4,4,7,10,13,14-hexamethylpentacyclo[10.7.0.02,10.03,7.013,17]nonadec-11-en-9-ol
Manual XrefsDatabases
78441765ChemSpider