input word = C00047467

Metabolite InformationStructural formula
Name Jatamanvaltrate D
(-)-Jatamanvaltrate D
Formula C34H46O14
Mw 678.28875618
CAS RN 1134138-70-7
C_ID C00047467 ,
InChIKey UWCWLUDDBLLVGQ-JRSNXISUNA-N
InChICode InChI=1S/C34H46O14/c1-18(2)12-26(37)47-28(20(5)6)31(40)43-15-22-16-44-32(48-27(38)13-19(3)4)29-33(22,41)14-25(46-21(7)35)34(29,42)17-45-30(39)23-10-8-9-11-24(23)36/h8-11,16,18-20,25,28-29,32,36,41-42H,12-15,17H2,1-7H3/t25-,28+,29-,32-,33-,34+/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)c1c(cccc1)O)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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