input word = C00008655

Metabolite InformationStructural formula
Name Diplacol 4'-methylether
Formula C26H30O7
Mw 454.19915331
CAS RN 102818-90-6
C_ID C00008655 ,
InChIKey HXSRAKGAZOSYEH-OVCLIPMQNA-N
InChICode InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26-/m0/s1
SMILES c1(c(c2c(cc1O)O[C@H]([C@H](C2=O)O)c1ccc(c(c1)O)OC)O)C/C=C(/CCC=C(C)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhrymaceaeDiplacus aurantiacus Ref.
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