input word = C00030163

Metabolite InformationStructural formula
Name Dumoside
Formula C40H62O16
Mw 798.40378593
CAS RN 221526-58-5
C_ID C00030163 ,
InChIKey DITLNCLWUCYKIJ-NVDDLDMTNA-N
InChICode InChI=1S/C40H62O16/c1-15-25-23(53-35(15)49)13-22-20-7-6-18-12-19(8-10-39(18,4)21(20)9-11-40(22,25)5)52-38-34(56-37-31(47)29(45)27(43)17(3)51-37)32(48)33(24(14-41)54-38)55-36-30(46)28(44)26(42)16(2)50-36/h6,15-17,19-34,36-38,41-48H,7-14H2,1-5H3/t15-,16-,17-,19-,20+,21-,22-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34+,36-,37-,38+,39-,40-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7OC(=O)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
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OrganismDioscorea spongiosa
ReferenceSautour,J.Nat.Prod.,61,(2007),91