input word = C00005736

Metabolite InformationStructural formula
Name Myricetin 3-sambubioside
Formula C26H28O17
Mw 612.13264947
CAS RN 142449-93-2
C_ID C00005736 ,
InChIKey MMKMIFKDPPAMLJ-UVUMLRNPNA-N
InChICode InChI=1S/C26H28O17/c27-5-14-18(35)20(37)24(43-25-21(38)17(34)12(32)6-39-25)26(41-14)42-23-19(36)15-9(29)3-8(28)4-13(15)40-22(23)7-1-10(30)16(33)11(31)2-7/h1-4,12,14,17-18,20-21,24-35,37-38H,5-6H2/t12-,14+,17+,18+,20-,21+,24-,25+,26-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus complanatus Ref.
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