input word = C00013630

Metabolite InformationStructural formula
Name Acacetin 7-[6'''-acetylglucosyl-(1->2)]-rhamnosyl-(1->6)-glucoside
7-[(O-6-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 394210-62-9
C_ID C00013630 ,
InChIKey MADAEFDWNZQTDX-GYQMTDGWNA-N
InChICode InChI=1S/C36H44O20/c1-13-25(40)28(43)31(46)34(51-13)50-12-23-27(42)30(45)33(56-35-32(47)29(44)26(41)22(54-35)11-49-14(2)37)36(55-23)52-17-8-18(38)24-19(39)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-36,38,40-47H,11-12H2,1-3H3/t13-,22+,23+,25-,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeCalamintha grandiflora Ref.
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