input word = C00040926

Metabolite InformationStructural formula
Name Coniferinoside
Formula C22H32O13
Mw 504.18429111
CAS RN 115124-96-4
C_ID C00040926 ,
InChIKey CQSPCPGNSAKNCP-NSCUHMNNNA-N
InChICode InChI=1S/C22H32O13/c1-31-12-7-10(3-2-6-23)4-5-11(12)33-22-20(30)18(28)16(26)14(35-22)9-32-21-19(29)17(27)15(25)13(8-24)34-21/h2-5,7,13-30H,6,8-9H2,1H3/b3-2+/t13-,14+,15+,16+,17-,18-,19+,20+,21+,22-/m1/s1
SMILES COc1cc(/C=C/CO)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeStellera chamaejasme Ref.
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