input word = C00011183

Metabolite InformationStructural formula
Name Acacetin 7-O-[2'''-O-rhamnosyl-2''-O-glucosylglucoside
7-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C34H42O19
Mw 754.23202916
CAS RN 188342-32-7
C_ID C00011183 ,
InChIKey NSHODVPTAXCSGW-GDEKLPPANA-N
InChICode InChI=1S/C34H42O19/c1-12-23(39)26(42)29(45)32(47-12)52-31-28(44)25(41)21(11-36)51-34(31)53-30-27(43)24(40)20(10-35)50-33(30)48-15-7-16(37)22-17(38)9-18(49-19(22)8-15)13-3-5-14(46-2)6-4-13/h3-9,12,20-21,23-37,39-45H,10-11H2,1-2H3/t12-,20-,21+,23+,24-,25-,26-,27+,28+,29+,30-,31-,32+,33-,34+/m1/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNitrariaceaePeganum harmala Ref.
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