input word = C00013828

Metabolite InformationStructural formula
Name Herbacetin 3-beta-D-glucofuranoside
3-(b-D-Glucofuranosyloxy)-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C21H20O12
Mw 464.09547611
CAS RN 169784-70-7
C_ID C00013828 ,
InChIKey FKLKHCXZTRDKFH-MXCDVDLKNA-N
InChICode InChI=1S/C21H20O12/c22-6-11(26)18-15(29)16(30)21(32-18)33-20-14(28)12-9(24)5-10(25)13(27)19(12)31-17(20)7-1-3-8(23)4-2-7/h1-5,11,15-16,18,21-27,29-30H,6H2/t11-,15-,16+,18-,21+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H](O)[C@H](O1)[C@@H](CO)O)O)c(cc(c2O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeJungia paniculata Ref.
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