input word = C00027251

Metabolite InformationStructural formula
Name 2'-N-(1''-Deoxy-1''-beta-D-fructopyranosyl)cephaeline
Formula C34H48N2O9
Mw 628.33598115
CAS RN 261515-32-6
C_ID C00027251 ,
InChIKey PHANIVGAHBXZOI-CJBITFBONA-N
InChICode InChI=1S/C34H48N2O9/c1-5-19-16-35-8-6-21-13-30(43-3)31(44-4)15-24(21)25(35)10-22(19)11-26-23-14-29(42-2)27(37)12-20(23)7-9-36(26)18-34(41)33(40)32(39)28(38)17-45-34/h12-15,19,22,25-26,28,32-33,37-41H,5-11,16-18H2,1-4H3/t19-,22+,25-,26+,28+,32+,33-,34+/m0/s1
SMILES c1(c(cc2c(c1)[C@H]1N(CC2)C[C@@H]([C@H](C1)C[C@H]1N(CCc2c1cc(c(c2)O)OC)C[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O)CC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCephaelis acuminata Ref.
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