CHEBI:182708 - Lagochilline

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 Lagochilline
ChEBI ID CHEBI:182708
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
InChIKey XYPPDQHBNJURHU-UHFFFAOYSA-N
SMILES O1C2(C3(C(C(C(O)CC3)(CO)C)CCC2C)C)CCC1(CCO)CO
ChEBI Ontology
Outgoing Lagochilline (CHEBI:182708) is a diterpenoid (CHEBI:23849)
IUPAC Name
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
2723774 ChemSpider
View more database links