input word = C00047470

Metabolite InformationStructural formula
Name Jatamanvaltrate G
(-)-Jatamanvaltrate G
Formula C22H34O9
Mw 442.22028269
CAS RN 1134138-74-1
C_ID C00047470 ,
InChIKey XMMXYMRDMCRIGT-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(24)22(20,27)11-30-14(5)23/h10,12-13,16-17,20-21,24,27H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1OC(=O)CC(C)C)[C@@]([C@H](C2)O)(O)COC(=O)C)COC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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