input word = C00049144

Metabolite InformationStructural formula
Name Deacetylasperulosidic acid ethyl ester
Formula C18H26O11
Mw 418.14751167
CAS RN 210109-13-0
C_ID C00049144 ,
InChIKey PIFFAIMSAYMMCE-WQJICKENNA-N
InChICode InChI=1S/C18H26O11/c1-2-26-16(25)8-6-27-17(11-7(4-19)3-9(21)12(8)11)29-18-15(24)14(23)13(22)10(5-20)28-18/h3,6,9-15,17-24H,2,4-5H2,1H3/t9-,10-,11-,12+,13-,14+,15-,17+,18+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1OC=C([C@@H]2[C@H]1C(=C[C@H]2O)CO)C(=O)OCC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis hedyotidea Ref.
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