input word = C00044753

Metabolite InformationStructural formula
Name Ethyl chlorogenate
Formula C18H22O9
Mw 382.1263823
CAS RN 37123-66-3
C_ID C00044753 ,
InChIKey LEUHYTKFUDEERH-IXIPXMEYNA-N
InChICode InChI=1S/C18H22O9/c1-2-26-17(24)18(25)8-13(21)16(23)14(9-18)27-15(22)6-4-10-3-5-11(19)12(20)7-10/h3-7,13-14,16,19-21,23,25H,2,8-9H2,1H3/b6-4+/t13-,14-,16-,18+/m1/s1
SMILES CCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina racemosa Ref.
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