input word = C00030763

Metabolite InformationStructural formula
Name Methyl protobioside
(-)-Methyl protobioside
Formula C46H76O18
Mw 916.50316563
CAS RN 84774-05-0
C_ID C00030763 ,
InChIKey MNJMFMOAMCOUES-VQQPUDHFNA-N
InChICode InChI=1S/C46H76O18/c1-20(19-58-41-38(55)36(53)33(50)29(17-47)61-41)9-14-46(57-6)21(2)31-28(64-46)16-27-25-8-7-23-15-24(10-12-44(23,4)26(25)11-13-45(27,31)5)60-43-40(37(54)34(51)30(18-48)62-43)63-42-39(56)35(52)32(49)22(3)59-42/h7,20-22,24-43,47-56H,8-19H2,1-6H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-/m1/s1
SMILES CO[C@]1(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea deltoidea var.orbiculata Ref.
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