input word = C00027252

Metabolite InformationStructural formula
Name 3'-O-beta-D-glucopyranosylalangiside
(-)-3'-O-beta-D-glucopyranosylalangiside
Formula C31H41NO15
Mw 667.24761965
CAS RN 201555-37-5
C_ID C00027252 ,
InChIKey VDSSUYMBXUNXGS-QZYVOFFTNA-N
InChICode InChI=1S/C31H41NO15/c1-3-13-15-7-17-14-8-18(35)19(42-2)6-12(14)4-5-32(17)28(41)16(15)11-43-29(13)47-31-26(40)27(23(37)21(10-34)45-31)46-30-25(39)24(38)22(36)20(9-33)44-30/h3,6,8,11,13,15,17,20-27,29-31,33-40H,1,4-5,7,9-10H2,2H3/t13-,15-,17+,20+,21+,22+,23+,24-,25+,26+,27-,29-,30-,31-/m0/s1
SMILES c1c2c(cc(c1O)OC)CCN1[C@@H]2C[C@@H]2C(=CO[C@H]([C@H]2C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium lamarckii Ref.
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