input word = C00027256

Metabolite InformationStructural formula
Name 6'-O-beta-D-glucopyranosylalangiside
(-)-6'-O-beta-D-glucopyranosylalangiside
Formula C31H41NO15
Mw 667.24761965
CAS RN 201555-36-4
C_ID C00027256 ,
InChIKey ALVDKZRKCLTXIO-QDHQOCPBNA-N
InChICode InChI=1S/C31H41NO15/c1-3-13-15-7-17-14-8-18(34)19(42-2)6-12(14)4-5-32(17)28(41)16(15)10-43-29(13)47-31-27(40)25(38)23(36)21(46-31)11-44-30-26(39)24(37)22(35)20(9-33)45-30/h3,6,8,10,13,15,17,20-27,29-31,33-40H,1,4-5,7,9,11H2,2H3/t13-,15-,17+,20+,21+,22+,23+,24-,25-,26+,27+,29-,30+,31-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4cc(OC)c(O)cc4[C@H]3C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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