input word = C00064061

Metabolite InformationStructural formula
Name Jatamanvaltrate S
Formula C24H38O8
Mw 454.25666819
CAS RN 1821386-37-1
C_ID C00064061
InChIKey CMXXDPIOYCKGJD-XTFFSAJJSA-N
InChICode InChI=1S/C24H38O8/c1-7-28-18-11-16(12-25)21-22(18)17(13-30-19(26)9-14(3)4)23(29-8-2)32-24(21)31-20(27)10-15(5)6/h11,14-15,18,21,23-25H,7-10,12-13H2,1-6H3/t18-,21-,23-,24-/m1/s1
SMILES CCOC1C=C(CO)C2C1=C(COC(=O)CC(C)C)C(OCC)OC2OC(=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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