input word = C00056590

Metabolite InformationStructural formula
Name Diosbulbiside C
Formula C45H70O17
Mw 882.46130081
CAS RN 1192596-76-1
C_ID C00056590
InChIKey RMWYKMYLRRSMGB-WKMOWDAYSA-N
InChICode InChI=1S/C45H70O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-38(56)36(54)33(51)22(4)58-42)39(34(52)30(18-47)60-43)61-41-37(55)35(53)32(50)21(3)57-41/h8,19,21-22,24-27,30,32-43,46-47,50-56H,7,9-18H2,1-6H3/b31-20+/t19-,21+,22+,24+,25-,26+,27+,30-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,43-,44+,45+/m1/s1
SMILES C[C@]12C(C[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](O)[C@@H](CO)O3)CC2)=CC[C@]6([H])[C@]1([H])CC[C@@]7(C)[C@@]6([H])CC(/C7=C(C(CC[C@@H](C)CO)=O)/C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
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