input word = C00003561

Metabolite InformationStructural formula
Name Ziziphin
Formula C51H80O18
Mw 980.53446575
CAS RN 73667-51-3
C_ID C00003561 ,
InChIKey SPFBVQWRJFUDBB-VIXSIKGZNA-N
InChICode InChI=1S/C51H80O18/c1-23(2)18-28-19-49(11,69-45-41(65-27(6)53)40(64-26(5)52)35(55)25(4)63-45)42-29-12-13-32-47(9)16-15-33(46(7,8)31(47)14-17-48(32,10)50(29)21-51(42,68-28)61-22-50)67-43-38(58)36(56)30(20-60-43)66-44-39(59)37(57)34(54)24(3)62-44/h18,24-25,28-45,54-59H,12-17,19-22H2,1-11H3/t24-,25-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40+,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]23[C@H](CC1)[C@@H]1[C@@](OC2)(O[C@H](C[C@]1(C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)O)C)C=C(C)C)C3)C)C)(C)C)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZiziphus jujuba Ref.
PlantaeRhamnaceaeZizyphus jujuba Ref.
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