input word = C00054054

Metabolite InformationStructural formula
Name Agamenoside D
Formula C51H82O23
Mw 1062.52468893
CAS RN 619300-63-9
C_ID C00054054
InChIKey YKABWKAMEISWAE-ZIKHVRGWSA-N
InChICode InChI=1S/C51H82O23/c1-19-8-11-51(65-18-19)20(2)32-27(74-51)13-26-24-7-6-22-12-23(9-10-49(22,4)25(24)14-31(55)50(26,32)5)67-46-40(63)38(61)42(30(17-54)70-46)71-48-44(37(60)34(57)28(15-52)69-48)73-47-41(64)43(35(58)29(16-53)68-47)72-45-39(62)36(59)33(56)21(3)66-45/h19-30,32-48,52-54,56-64H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,30-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,48+,49+,50-,51-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
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