input word = C00031611

Metabolite InformationStructural formula
Name Atractyloside B
Formula C21H38O10
Mw 450.24649744
CAS RN 126054-78-2
C_ID C00031611 ,
InChIKey ZQIOVWYOYSNXID-UHFFFAOYNA-N
InChICode InChI=1S/C21H38O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-18,22-29H,4-9H2,1-3H3/t10-,11-,12+,13-,14-,15-,16+,17-,18-,20-,21+/m0/s1
SMILES CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)C2CC(O)C(C)(O)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAtractylodes lancea Ref.
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