input word = C00053593

Metabolite InformationStructural formula
Name 2-(3,4-Dihydroxyphenyl)ethyl 4-formyl-3-formylmethyl-4-hexenoate
Oleacein
Formula C17H20O6
Mw 320.12598837
CAS RN 149183-75-5
C_ID C00053593
InChIKey XLPXUPOZUYGVPD-VMPILDALSA-N
InChICode InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2-/t14-/m0/s1
SMILES OC1=CC=C(CCOC(C[C@H](CC=O)/C(C=O)=CC)=O)C=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum grandiflorum Ref.
PlantaeOleaceaeOlea europaea Ref.
--grandiflorum Ref.
zoom in