input word = C00040334

Metabolite InformationStructural formula
Name Sorbifolivaltrate B
Formula C23H30O8
Mw 434.19406794
CAS RN 1000588-28-2
C_ID C00040334 ,
InChIKey KLQIXIQHWLZXBE-FLCVWEPENA-N
InChICode InChI=1S/C23H30O8/c1-6-14(4)8-20(26)30-18-9-17-16(10-27-15(5)24)11-28-22(21(17)23(18)12-29-23)31-19(25)7-13(2)3/h7,9,11,14,18,21-22H,6,8,10,12H2,1-5H3/t14-,18-,21+,22-,23+/m0/s1
SMILES CCC(C)CC(=O)O[C@H]1C=C2C(COC(C)=O)=CO[C@@H](OC(=O)C=C(C)C)[C@@H]2[C@@]12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana sorbifolia Ref.
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