Met007189: Hericene B
Metabolite Information
Name
Hericene B
IUPAC Name
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate
Molecular Formula
C37H58O5
Molecular Weight
582.9
Exact Mass
582.428425
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)CC=C(C)CCC=C(C)C)OC
InChIKey
UJSYMVCGDZCLIO-LTBKHPPLSA-N
InChI
InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Prenol lipids
Subclass:
Monoterpenoids
Crops containing this metabolite
parsley
Metabolite Spectrum Accession Label