input word = C00047474

Metabolite InformationStructural formula
Name Jatamanvaltrate K
(+)-Jatamanvaltrate K
Formula C22H32O9
Mw 440.20463262
CAS RN 1134138-83-2
C_ID C00047474 ,
InChIKey BKKCPVJHKOCEPK-MLYUBBHANA-N
InChICode InChI=1S/C22H32O9/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,23,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
SMILES O1C=C(C2=C[C@@H]([C@]([C@H]2[C@@H]1OC(=O)CC(C)C)(O)CO)OC(=O)CC(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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OrganismValeriana jatamansi
ReferenceLin,J.Nat.Prod.,72,(2009),650