CHEBI:93887 - (1S,4aR,5S)-5-[2-(3-furanyl)ethyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,4aR,5S)-5-[2-(3-furanyl)ethyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid
ChEBI ID CHEBI:93887
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.435
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17?,19+,20-/m0/s1
InChIKey IZRLEXPLVWDKBC-NGWLPYQTSA-N
SMILES CC1=CCC2[C@@]([C@H]1CCC3=COC=C3)(CCC[C@]2(C)C(=O)O)C
ChEBI Ontology
Outgoing (1S,4aR,5S)-5-[2-(3-furanyl)ethyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid (CHEBI:93887) is a diterpenoid (CHEBI:23849)
Manual Xref Database
LSM-4462 LINCS
View more database links