input word = C00013951

Metabolite InformationStructural formula
Name Quercetagetin 7-methyl ether 3-neohesperidoside
3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C28H32O17
Mw 640.1639496
CAS RN 235741-65-8
C_ID C00013951 ,
InChIKey WLDGTEOTQGGKBE-KMKKEKOBNA-N
InChICode InChI=1S/C28H32O17/c1-8-16(32)21(37)23(39)27(41-8)45-26-22(38)18(34)14(7-29)43-28(26)44-25-20(36)15-12(6-13(40-2)17(33)19(15)35)42-24(25)9-3-4-10(30)11(31)5-9/h3-6,8,14,16,18,21-23,26-35,37-39H,7H2,1-2H3/t8-,14-,16-,18-,21-,22-,23-,26+,27-,28-/m0/s1
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(=O)c2c(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEriocaulaceaePaepalanthus vellozioides Ref.
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