CHEBI:6144 - Kolanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Kolanone
ChEBI ID CHEBI:6144
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H42O4
Net Charge 0
Average Mass 502.685
Monoisotopic Mass 502.30831
InChI InChI=1S/C33H42O4/c1-22(2)12-11-13-25(7)19-21-33(20-18-24(5)6)31(36)27(17-16-23(3)4)30(35)28(32(33)37)29(34)26-14-9-8-10-15-26/h8-10,12,14-16,18-19,35-36H,11,13,17,20-21H2,1-7H3/b25-19+/t33-/m1/s1
InChIKey QRKXZTBPUWMKHJ-BAWJEBPFSA-N
SMILES CC(C)=CCC\C(C)=C\C[C@@]1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C(O)C(CC=C(C)C)=C1O
ChEBI Ontology
Outgoing Kolanone (CHEBI:6144) is a monoterpenoid (CHEBI:25409)
Synonym Source
Kolanone KEGG COMPOUND
Manual Xrefs Databases
C00003001 KNApSAcK
C09948 KEGG COMPOUND
View more database links
Registry Number Type Source
81827-55-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014