input word = C00013924

Metabolite InformationStructural formula
Name Isorhamnetin 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside]
Quercetin 3'-methyl ether 3-[2''-(4'''-acetylrhamnosyl)-gentiobioside]
3-[(O-4-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C36H44O22
Mw 828.23242309
CAS RN 220716-16-5
C_ID C00013924 ,
InChIKey VJEVXTUVNQQJJL-OQUKFHNFNA-N
InChICode InChI=1S/C36H44O22/c1-11-30(53-12(2)38)27(47)29(49)35(52-11)58-33-26(46)23(43)20(10-51-34-28(48)25(45)22(42)19(9-37)55-34)56-36(33)57-32-24(44)21-16(41)7-14(39)8-18(21)54-31(32)13-4-5-15(40)17(6-13)50-3/h4-8,11,19-20,22-23,25-30,33-37,39-43,45-49H,9-10H2,1-3H3/t11-,19+,20+,22+,23+,25-,26-,27+,28+,29-,30-,33+,34+,35-,36-/m0/s1
SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O[C@@H]2OC(C)[C@H](OC(C)=O)C(O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAmmi majus Ref.
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