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 [C@@H]1([C@@H](CO[C@H]([C@@H]1O)O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@H]1C[C@@]2([C@]([C@@H]3[C@H]1[C@H](CC3)C(O)(C)C)(C)CC[C@H]1[C@]2(C[C@@H]([C@@H]2[C@]1(C)CC[C@H](C2(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePolycarpon succulentum Ref.
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