input word = C00041451

Metabolite InformationStructural formula
Name Cleistetroside 4
(-)-Cleistetroside 4
Formula C42H72O20
Mw 896.46169474
CAS RN 115547-18-7
C_ID C00041451 ,
InChIKey QRFHSDNKBJHWKS-UOQVCBLFNA-N
InChICode InChI=1S/C42H72O20/c1-9-10-11-12-13-14-15-16-17-18-19-52-39-31(50)29(48)33(21(3)54-39)60-41-32(51)36(34(22(4)55-41)57-24(6)43)61-42-38(59-26(8)45)37(35(23(5)56-42)58-25(7)44)62-40-30(49)28(47)27(46)20(2)53-40/h20-23,27-42,46-51H,9-19H2,1-8H3/t20-,21-,22-,23-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-/m0/s1
SMILES [C@@H]1([C@H]([C@H](O[C@H]2[C@H]([C@H](O[C@H]3[C@H]([C@H](O[C@H]4[C@@H](O[C@H]([C@@H]([C@H]4O)O)OCCCCCCCCCCCC)C)O[C@H]([C@@H]3OC(=O)C)C)O)O[C@H]([C@@H]2OC(=O)C)C)OC(=O)C)O[C@H]([C@@H]1O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeCleistopholis patens Ref.
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