input word = C00053923

Metabolite InformationStructural formula
Name Celereoside
Formula C20H24O10
Mw 424.13694699
CAS RN 74608-59-6
C_ID C00053923
InChIKey JMWIRXQFQXREAB-BGARTESOSA-N
InChICode InChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3/t12-,13?,16-,17+,18-,19+/m1/s1
SMILES OC1=C(CC(C(OC2C(O)C(O)C(O)C(CO)O2)(C)C)O3)C3=CC(O4)=C1C=CC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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