input word = C00058225

Metabolite InformationStructural formula
Name Tropeoside A2
Formula C39H64O14
Mw 756.42960675
CAS RN 847796-68-3
C_ID C00058225
InChIKey VBXHRHABBLLODX-YDUGXYAJSA-N
InChICode InChI=1S/C39H64O14/c1-17(16-49-35-33(46)31(44)29(42)19(3)50-35)8-11-39(48)18(2)28-25(53-39)14-24-22-7-6-20-12-21(41)13-27(38(20,5)23(22)9-10-37(24,28)4)52-36-34(47)32(45)30(43)26(15-40)51-36/h6,17-19,21-36,40-48H,7-16H2,1-5H3/t17-,18+,19+,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39+/m1/s1
SMILES O[C@H](C1)C[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@@]3(C)C1=CC[C@]4([H])[C@]3([H])CC[C@@]5(C)[C@@]4([H])C[C@@](O[C@](CC[C@@H](C)CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)(O)[C@H]7C)([H])[C@@]57[H]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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