input word = C00036638

Metabolite InformationStructural formula
Name 6'-O-beta-Apiofuranosylsweroside
Formula C21H30O13
Mw 490.16864105
CAS RN 266678-59-5
C_ID C00036638 ,
InChIKey JNPXCTROEJQHKD-UKOHIMFZNA-N
InChICode InChI=1S/C21H30O13/c1-2-9-10-3-4-29-17(27)11(10)5-30-18(9)34-19-15(25)14(24)13(23)12(33-19)6-31-20-16(26)21(28,7-22)8-32-20/h2,5,9-10,12-16,18-20,22-26,28H,1,3-4,6-8H2/t9-,10-,12+,13+,14-,15+,16-,18-,19-,20+,21+/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1OC[C@@]([C@H]1O)(CO)O)O[C@H]1[C@H]([C@H]2C(=CO1)C(=O)OCC2)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera quinquelocularis Ref.
PlantaeRubiaceaeCephaelis acuminata Karsten Ref.
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