input word = C00013521

Metabolite InformationStructural formula
Name 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
Formula C23H26O8
Mw 430.16276781
CAS RN 343337-05-3
C_ID C00013521 ,
InChIKey WLKFOJZKYWLYJJ-UHFFFAOYNA-N
InChICode InChI=1S/C23H26O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-20(27)19(26)18-17(31-21)10-15(25)22(29-3)23(18)30-4/h7-10,12,24-25,27H,5-6,11H2,1-4H3/t12-/m0/s1
SMILES c12c(oc(c(c1=O)O)c1ccc(c(c1)CC[C@H](C)CO)OC)cc(c(c2OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeDuranta repens Ref.
zoom in