input word = C00047433

Metabolite InformationStructural formula
Name Didrovaltrate acetoxy hydrin
Formula C24H36O10
Mw 484.23084737
CAS RN 81659-07-6
C_ID C00047433 ,
InChIKey ZQPPJHUOJWNFMW-RNXWQIAVNA-N
InChICode InChI=1S/C24H36O10/c1-13(2)7-20(27)30-10-17-11-31-23(34-21(28)8-14(3)4)22-18(17)9-19(33-16(6)26)24(22,29)12-32-15(5)25/h11,13-14,18-19,22-23,29H,7-10,12H2,1-6H3/t18-,19+,22-,23+,24-/m1/s1
SMILES C1=C([C@@H]2[C@H]([C@@H](O1)OC(=O)CC(C)C)[C@@]([C@H](C2)OC(=O)C)(O)COC(=O)C)COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
zoom in