input word = C00057944

Metabolite InformationStructural formula
Name Valdiate
Formula C17H26O5
Mw 310.17802394
CAS RN 162232-32-8
C_ID C00057944
InChIKey XXZPXRQPWFAXCK-WQFMGJDKSA-N
InChICode InChI=1S/C17H26O5/c1-10(2)7-15(19)22-17-16-11(3)5-6-14(16)13(9-21-17)8-20-12(4)18/h9-11,14,16-17H,5-8H2,1-4H3/t11-,14+,16+,17-/m0/s1
SMILES CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1CC[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis var. sambucifolia Ref.
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OrganismValeriana officinalis var. sambucifolia
ReferenceBellesia, F. et al., J. Chem. Res., Synop., 1983, 328-329 (Teucrein)