input word = C00019361

Metabolite InformationStructural formula
Name Diffusarotenoid
6-Pentanoate-4,9-dihydroxy-10-methyl-6a,12a-didehydrorotenone
Formula C22H20O7
Mw 396.12090299
CAS RN 219686-52-9
C_ID C00019361 ,
InChIKey QGXIYXXRDGMFBG-UHFFFAOYNA-N
InChICode InChI=1S/C22H20O7/c1-3-4-8-17(25)28-22-21-18(12-6-5-7-14(23)20(12)29-22)19(26)13-9-11(2)15(24)10-16(13)27-21/h5-7,9-10,22-24H,3-4,8H2,1-2H3/t22-/m1/s1
SMILES CCCCC(=O)OC1Oc2c(O)cccc2-c2c1oc1cc(O)c(C)cc1c2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNyctaginaceaeBoerhavia diffusa Ref.
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