input word = C00030147

Metabolite InformationStructural formula
Name Dipsanoside F
(-)-Dipsanoside F
Formula C36H52O21
Mw 820.30010873
CAS RN 1012326-82-7
C_ID C00030147 ,
InChIKey YDTGQMRUPYOHPG-PQHMDAJSNA-N
InChICode InChI=1S/C36H52O21/c1-4-15-16(6-23-49-9-14(39)10-50-23)18(11-51-33(15)56-35-29(44)27(42)25(40)21(7-37)54-35)32(47)53-20-5-17-19(31(46)48-3)12-52-34(24(17)13(20)2)57-36-30(45)28(43)26(41)22(8-38)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 C1=C([C@@H]2[C@@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@H]([C@H](C2)OC(=O)C1=CO[C@H]([C@@H]([C@H]1C[C@@H]1OC[C@@H](CO1)O)C=C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus asper Ref.
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