input word = C00013905

Metabolite InformationStructural formula
Name Quercetin 7-methyl ether 3-laminaribioside
Rhamnetin 3-laminaribioside
2-(3,4-Dihydroxyphenyl)-3-[(3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C28H32O17
Mw 640.1639496
CAS RN 194934-83-3
C_ID C00013905 ,
InChIKey QAKZPBCOTDXPHA-IBDKATPANA-N
InChICode InChI=1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)26(20(17)36)45-28-23(39)25(19(35)16(8-30)43-28)44-27-22(38)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,25,27-35,37-39H,7-8H2,1H3/t15-,16+,18-,19-,21+,22+,23-,25+,27+,28+/m1/s1
SMILES COc1cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)C3O)c(-c3ccc(O)c(O)c3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
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