input word = C00047476

Metabolite InformationStructural formula
Name Jatamanvaltrate M
(-)-Jatamanvaltrate M
Formula C19H28O8
Mw 384.17841787
CAS RN 1134138-89-8
C_ID C00047476 ,
InChIKey HXMXOBXOPPGJHP-HTYVJMHNNA-N
InChICode InChI=1S/C19H28O8/c1-5-23-8-13-9-24-17(27-15(21)6-11(2)3)16-18(13,22)7-14(26-12(4)20)19(16)10-25-19/h9,11,14,16-17,22H,5-8,10H2,1-4H3/t14-,16-,17-,18-,19+/m0/s1
SMILES O1C=C([C@@]2([C@H]([C@@H]1OC(=O)CC(C)C)[C@@]1([C@H](C2)OC(=O)C)OC1)O)COCC
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