input word = C00044330

Metabolite InformationStructural formula
Name Succulentoside D
Formula C51H86O21
Mw 1034.56615981
CAS RN 214059-16-2
C_ID C00044330 ,
InChIKey QMAUDLBSYNWRNY-VJQXABAJNA-N
InChICode InChI=1S/C51H86O21/c1-46(2)30(70-45-40(33(58)25(55)19-67-45)72-44-37(62)35(60)34(59)28(17-52)69-44)12-13-48(5)29-11-14-49(6)22-10-9-21(47(3,4)64)31(22)27(16-51(49,8)50(29,7)15-23(53)41(46)48)68-43-38(63)39(26(56)20-66-43)71-42-36(61)32(57)24(54)18-65-42/h21-45,52-64H,9-20H2,1-8H3/t21-,22-,23-,24+,25-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35-,36+,37+,38+,39-,40+,41-,42-,43-,44-,45-,48+,49+,50+,51+/m0/s1
SMILES CC(C)(O)[C@H]1CC[C@H]2[C@H]1[C@@H](O[C@@H]1OCC(O)C(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]1O)C[C@@]1(C)[C@]3(C)C[C@H](O)[C@H]4C(C)(C)C(O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePolycarpon succulentum Ref.
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