input word = C00032811

Metabolite InformationStructural formula
Name Cheiranthoside X
Formula C35H52O15
Mw 712.33062099
CAS RN 366462-85-3
C_ID C00032811 ,
InChIKey RJPUPUKGXDXYFO-PHQWKBTENA-N
InChICode InChI=1S/C35H52O15/c1-16-29(50-30-28(41)27(40)26(39)23(14-36)49-30)22(37)12-25(47-16)48-18-3-9-34(31(42)43)20-4-7-32(2)19(17-11-24(38)46-15-17)6-10-35(32,45)21(20)5-8-33(34,44)13-18/h11,16,18-23,25-30,36-37,39-41,44-45H,3-10,12-15H2,1-2H3,(H,42,43)/t16-,18+,19-,20+,21-,22+,23-,25+,26-,27+,28-,29+,30+,32-,33+,34-,35+/m1/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C(=O)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H](C1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum cheiranthoides Ref.
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OrganismErysimum cheiranthoides
ReferenceLei,Chem.Pharm.Bull.,50,(2002),861