input word = C00013631

Metabolite InformationStructural formula
Name Acacetin 7-(4''''-Acetylrhamnosyl)-(1->6)-glucosyl-(1->3)-(6''-acetylglucoside)
7-[(O-4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->3)-6-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C38H46O21
Mw 838.25315854
CAS RN 241478-30-8
C_ID C00013631 ,
InChIKey LUNOGRDZPAZLBH-KVRHIVNANA-N
InChICode InChI=1S/C38H46O21/c1-14-34(54-16(3)40)30(46)32(48)36(53-14)52-13-24-27(43)29(45)31(47)37(57-24)59-35-28(44)25(12-51-15(2)39)58-38(33(35)49)55-19-9-20(41)26-21(42)11-22(56-23(26)10-19)17-5-7-18(50-4)8-6-17/h5-11,14,24-25,27-38,41,43-49H,12-13H2,1-4H3/t14-,24+,25-,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37-,38+/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)COC(=O)C)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)OC(=O)C)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum przewalskii Ref.
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