input word = C00040917

Metabolite InformationStructural formula
Name Cheiranthoside V
(+)-Cheiranthoside V
Formula C43H64O19
Mw 884.40417987
CAS RN 220181-80-6
C_ID C00040917 ,
InChIKey BXXHNQDTEFIKSJ-IWQZSUJTNA-N
InChICode InChI=1S/C43H64O19/c1-19-36(61-38-35(52)33(50)37(20(2)57-38)62-39-34(51)32(49)31(48)28(16-44)60-39)27(58-21(3)46)14-30(56-19)59-23-5-10-41(18-45)25-6-9-40(4)24(22-13-29(47)55-17-22)8-12-43(40,54)26(25)7-11-42(41,53)15-23/h13,18-20,23-28,30-39,44,48-54H,5-12,14-17H2,1-4H3/t19-,20+,23+,24-,25+,26-,27+,28-,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+,43+/m1/s1
SMILES C1[C@H]2[C@H]([C@@]3([C@](C1)([C@H](CC3)C1=CC(=O)OC1)C)O)CC[C@]1([C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)C)C=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum chelranthoides Ref.
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OrganismErysimum chelranthoides
ReferenceLei,Phytochem.,49,(1998),1801