input word = C00048937

Metabolite InformationStructural formula
Name 1-Kestose
Formula C18H32O16
Mw 504.16903498
CAS RN 470-69-9
C_ID C00048937 ,
InChIKey VAWYEUIPHLMNNF-BSVRLBRANA-N
InChICode InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
SMILES OC[C@H]1O[C@@](CO)(OC[C@@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium victorialis Ref.
PlantaeApocynaceaeMarsdenia tomentosa Ref.
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