input word = C00013706

Metabolite InformationStructural formula
Name Nevadensin 5-gentiobioside
5-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-hydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C30H36O17
Mw 668.19524973
CAS RN 178405-55-5
C_ID C00013706 ,
InChIKey PDOZWYOOYIYRHV-YYPZJQLINA-N
InChICode InChI=1S/C30H36O17/c1-40-12-6-4-11(5-7-12)14-8-13(32)17-25(44-14)27(41-2)24(39)28(42-3)26(17)47-30-23(38)21(36)19(34)16(46-30)10-43-29-22(37)20(35)18(33)15(9-31)45-29/h4-8,15-16,18-23,29-31,33-39H,9-10H2,1-3H3/t15-,16+,18-,19-,20+,21+,22-,23-,29-,30+/m1/s1
SMILES COc1ccc(-c2cc(=O)c3c(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)c(OC)c(O)c(OC)c3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGesneriaceaeLysionotus pauciflorus Ref.
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