input word = C00013629

Metabolite InformationStructural formula
Name Acacetin 7-Rhamnosyl-(1->6)[2''-acetylglucosyl-(1->2)glucoside]
7-[(O-2-O-Acetyl-beta-D-glucopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C36H44O20
Mw 796.24259385
CAS RN 206257-40-1
C_ID C00013629 ,
InChIKey CQFQVWGFHLOJEI-AYGYABNZNA-N
InChICode InChI=1S/C36H44O20/c1-13-25(41)28(44)31(47)34(50-13)49-12-23-27(43)30(46)33(56-36-32(51-14(2)38)29(45)26(42)22(11-37)54-36)35(55-23)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3/t13-,22+,23+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4OC(C)=O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDendranthema lavandulifolium Ref.
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