input word = C00047471

Metabolite InformationStructural formula
Name Jatamanvaltrate H
(-)-Jatamanvaltrate H
Formula C22H34O9
Mw 442.22028269
CAS RN 1134138-76-3
C_ID C00047471 ,
InChIKey GGDYOYOEMNQXNC-OTGOHPGDNA-N
InChICode InChI=1S/C22H34O9/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h10,12-13,16-17,20-21,23,27H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CO
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