input word = C00060420

Metabolite InformationStructural formula
Name Shimaurinoside B
Formula C16H30O10
Mw 382.18389718
CAS RN 178273-40-0
C_ID C00060420
InChIKey ALDQQSZYUDZKBF-ZHFVSHRQSA-N
InChICode InChI=1S/C16H30O10/c1-3-4-7(2)25-16-14(22)12(20)11(19)9(26-16)6-24-15-13(21)10(18)8(17)5-23-15/h7-22H,3-6H2,1-2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1
SMILES CCCC(C)OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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