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 O1C=C([C@@H]2[C@H]([C@@H]1OC(=O)CC(C)C)[C@@]([C@H](C2)OC(=O)C)(O)CO)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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