input word = C00030144

Metabolite InformationStructural formula
Name Dipsanoside C
Formula C36H52O21
Mw 820.30010873
CAS RN 1013120-44-9
C_ID C00030144 ,
InChIKey BDKGRKLZWISWKI-PQHMDAJSNA-N
InChICode InChI=1S/C36H52O21/c1-4-15-16(6-23-49-10-14(7-37)52-23)18(11-50-33(15)56-35-29(44)27(42)25(40)21(8-38)54-35)32(47)53-20-5-17-19(31(46)48-3)12-51-34(24(17)13(20)2)57-36-30(45)28(43)26(41)22(9-39)55-36/h4,11-17,20-30,33-45H,1,5-10H2,2-3H3/t13-,14-,15+,16+,17+,20-,21+,22+,23+,24-,25-,26-,27-,28-,29+,30+,33-,34-,35-,36-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)[C@H]1C[C@@H]1OC[C@H](CO)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus asper Ref.
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