input word = C00040277

Metabolite InformationStructural formula
Name Seneciovaltrate
Formula C22H28O8
Mw 420.17841787
CAS RN 98260-42-5
C_ID C00040277 ,
InChIKey ZHFDCOHUCIESBS-MLYUBBHANA-N
InChICode InChI=1S/C22H28O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h7-8,10,12,17,20-21H,6,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
SMILES O1C=C(C2=C[C@@H]([C@@]3([C@H]2[C@@H]1OC(=O)C=C(C)C)CO3)OC(=O)CC(C)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana sorbifolia Ref.
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