input word = C00055441

Metabolite InformationStructural formula
Name Anzuroside
Formula C33H52O12
Mw 640.34587713
CAS RN 125445-36-5
C_ID C00055441
InChIKey NPCYHINXJKBGDU-MEMNFBHMSA-N
InChICode InChI=1S/C33H52O12/c1-14-13-42-33(11-22(14)43-29-28(40)27(39)26(38)23(12-34)44-29)15(2)25-21(45-33)8-18-16-7-24(37)32(41)10-20(36)19(35)9-31(32,4)17(16)5-6-30(18,25)3/h14-23,25-29,34-36,38-41H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23+,25-,26+,27-,28+,29+,30-,31+,32+,33+/m0/s1
SMILES C[C@H]1CO[C@]2(C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@]5(O)C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium stipitatum Ref.
zoom in