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CHEBI:167853 - Lagochilin

ChEBI IDCHEBI:167853
ChEBI NameLagochilin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36O5
Net Charge0
Average Mass356.503
Monoisotopic Mass356.25627
SMILESC[C@@H]1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2
InChIInChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1
InChIKeyXYPPDQHBNJURHU-IPOQXWOTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Lagochilin (CHEBI:167853) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,4aS,5R,5'S,6R,8aS)-5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
Manual XrefsDatabases
5417062ChemSpider