CHEBI:167853 - Lagochilin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lagochilin
ChEBI ID CHEBI:167853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O5
Net Charge 0
Average Mass 356.503
Monoisotopic Mass 356.25627
InChI InChI=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
InChIKey XYPPDQHBNJURHU-IPOQXWOTSA-N
SMILES O1[C@]2([C@@]3([C@H]([C@@]([C@@H](O)CC3)(CO)C)CC[C@H]2C)C)CC[C@@]1(CO)CCO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
5417062 ChemSpider
View more database links