input word = C00004451

Metabolite InformationStructural formula
Name Tricetin 7-glucoside
Formula C21H20O12
Mw 464.09547611
CAS RN 77298-67-0
C_ID C00004451 ,
InChIKey BGNFAXBUPZDKDC-NXBQWJJBNA-N
InChICode InChI=1S/C21H20O12/c22-6-15-18(28)19(29)20(30)21(33-15)31-8-3-9(23)16-10(24)5-13(32-14(16)4-8)7-1-11(25)17(27)12(26)2-7/h1-5,15,18-23,25-30H,6H2/t15-,18-,19+,20-,21-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBiebersteiniaceaeBiebersteinia orphanidis Ref.
PlantaeTaxodiaceaeMetasequoia glyptostroboides Ref.
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