input word = C00027255

Metabolite InformationStructural formula
Name 6'-O-alpha-D-Xylopyranosylalangiside
(-)-6'-O-alpha-D-Xylopyranosylalangiside
Formula C30H39NO14
Mw 637.23705496
CAS RN 201555-41-1
C_ID C00027255 ,
InChIKey MEEQMJBHUXXUGY-QCEFLZHSNA-N
InChICode InChI=1S/C30H39NO14/c1-3-13-15-7-17-14-8-18(32)20(40-2)6-12(14)4-5-31(17)27(39)16(15)9-41-28(13)45-30-26(38)24(36)23(35)21(44-30)11-43-29-25(37)22(34)19(33)10-42-29/h3,6,8-9,13,15,17,19,21-26,28-30,32-38H,1,4-5,7,10-11H2,2H3/t13-,15-,17+,19-,21+,22-,23+,24-,25-,26+,28-,29+,30-/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[C@@H]2[C@H]([C@H]([C@H](CO2)O)O)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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