input word = C00024131

Metabolite InformationStructural formula
Name Chinenoside III
Formula C44H70O18
Mw 886.45621543
CAS RN 172519-52-7
C_ID C00024131 ,
InChIKey ZKCRBHUUXPULDX-SKQZGZPGNA-N
InChICode InChI=1S/C44H70O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-6-27-19(2)31-28(60-27)13-23-21-12-25(46)24-11-20(7-9-43(24,3)22(21)8-10-44(23,31)4)59-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)26(47)16-57-40/h18,20-24,26,28-42,45,47-55H,5-17H2,1-4H3/t18-,20+,21-,22+,23+,24-,26+,28+,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39+,40+,41-,42-,43-,44+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)OC(=C1C)CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO[C@@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium chinense G.DON Ref.
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