input word = C00047468

Metabolite InformationStructural formula
Name Jatamanvaltrate E
(-)-Jatamanvaltrate E
Formula C28H44O12
Mw 572.28327687
CAS RN 1134138-72-9
C_ID C00047468 ,
InChIKey IXNNZGPEYDVEBJ-DMVZKOKGNA-N
InChICode InChI=1S/C28H44O12/c1-15(2)9-21(30)39-23(17(5)6)25(32)36-12-19-13-37-26(40-22(31)10-16(3)4)24-27(19,33)11-20(38-18(7)29)28(24,34)14-35-8/h13,15-17,20,23-24,26,33-34H,9-12,14H2,1-8H3/t20-,23-,24-,26-,27-,28+/m0/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@@]([C@H](C2)OC(=O)C)(O)COC)O)COC(=O)[C@@H](OC(=O)CC(C)C)C(C)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