input word = C00055378

Metabolite InformationStructural formula
Name Deacetylvaltrate
Formula C20H28O7
Mw 380.18350325
CAS RN 52475-59-9
C_ID C00055378
InChIKey HEEIIVZBEADLIN-JOCLIGHLSA-N
InChICode InChI=1S/C20H28O7/c1-11(2)5-16(22)26-15-7-14-13(8-21)9-24-19(18(14)20(15)10-25-20)27-17(23)6-12(3)4/h7,9,11-12,15,18-19,21H,5-6,8,10H2,1-4H3/t15-,18+,19-,20+/m0/s1
SMILES CC(C)CC(=O)O[C@@H]1OC=C(CO)C2=C[C@H](OC(=O)CC(C)C)[C@]3(CO3)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana spp. Ref.
zoom in