input word = C00048334

Metabolite InformationStructural formula
Name Bethoside C
(-)-Bethoside C
Formula C39H66O14
Mw 758.44525682
CAS RN 1142859-78-6
C_ID C00048334 ,
InChIKey MEXRAORYVXTDHD-LZJZDWNONA-N
InChICode InChI=1S/C39H66O14/c1-18(15-40)5-8-25(43)19(2)29-26(44)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)50-37-35(33(48)31(46)28(17-42)52-37)53-36-34(49)32(47)30(45)27(16-41)51-36/h6,18-19,21-37,40-49H,5,7-17H2,1-4H3/t18-,19-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+/m1/s1
SMILES C[C@@H](CO)CC[C@@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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