input word = C00005101

Metabolite InformationStructural formula
Name Velloquercetin 4'-methyl ether
Formula C21H18O7
Mw 382.10525293
CAS RN 139955-64-9
C_ID C00005101 ,
InChIKey NLTXDVGIENJDHL-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O7/c1-9(2)14-7-11-15(27-14)8-16-17(18(11)23)19(24)20(25)21(28-16)10-4-5-13(26-3)12(22)6-10/h4-6,8,14,22-23,25H,1,7H2,2-3H3/t14-/m0/s1
SMILES c12c(c(c3c(c1)oc(c(c3=O)O)c1ccc(c(c1)O)OC)O)C[C@H](O2)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVelloziaceaeVellozia stipitata Ref.
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