input word = C00057764

Metabolite InformationStructural formula
Name Zansimuloside A
Formula C21H36O11
Mw 464.22576199
CAS RN 1082606-94-7
C_ID C00057764
InChIKey SFDNWSCFCRWISC-GJPIQFBBSA-N
InChICode InChI=1S/C21H36O11/c1-19(2)10-4-5-20(3,32-19)12(6-10)31-17-15(25)14(24)13(23)11(30-17)7-28-18-16(26)21(27,8-22)9-29-18/h10-18,22-27H,4-9H2,1-3H3/t10-,11+,12+,13+,14-,15+,16-,17-,18+,20+,21+/m0/s1
SMILES CC1(C)O[C@]2(C)CC[C@H]1C[C@H]2O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
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