input word = C00060887

Metabolite InformationStructural formula
Name (9R)-4-Oxo-beta-inol beta-D-glucopyranoside
Formula C19H30O7
Mw 370.19915331
CAS RN 2245696-15-3
C_ID C00060887
InChIKey PPPBOWXAOKXHBI-JMCVAEDNSA-N
InChICode InChI=1S/C19H30O7/c1-10(5-6-12-11(2)13(21)7-8-19(12,3)4)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10,14-18,20,22-24H,7-9H2,1-4H3/b6-5+/t10-,14-,15-,16+,17-,18-/m1/s1
SMILES CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CCC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica oleracea Ref.
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