input word = C00020168

Metabolite InformationStructural formula
Name 3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one
Formula C15H20O3
Mw 248.1412445
CAS RN 131985-01-8
C_ID C00020168 ,
InChIKey NRXPKUCOZPTCRA-LNUKSIOUNA-N
InChICode InChI=1S/C15H20O3/c1-8(2)15-11-5-9(3)12(16)7-14(11)18-10(4)6-13(15)17/h5,7-8,10,15-16H,6H2,1-4H3/t10-,15-/m0/s1
SMILES Cc1cc2c(cc1O)O[C@@H](C)CC(=O)[C@H]2C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHeritiera ornithocephala Ref.
zoom in



OrganismHeritiera ornithocephala
ReferenceCambie,Phytochem.,29,(1990),2329