input word = C00006505

Metabolite InformationStructural formula
Name Amentoflavone 4',4'''-di-O-glucoside
Formula C42H38O20
Mw 862.19564366
CAS RN 93078-97-8
C_ID C00006505 ,
InChIKey PJMNXYRUOQYCLT-XRGVVXBENA-N
InChICode InChI=1S/C42H38O20/c43-13-29-34(51)36(53)38(55)41(61-29)57-18-4-1-15(2-5-18)26-12-24(50)33-22(48)10-21(47)31(40(33)59-26)19-7-16(27-11-23(49)32-20(46)8-17(45)9-28(32)58-27)3-6-25(19)60-42-39(56)37(54)35(52)30(14-44)62-42/h1-12,29-30,34-39,41-48,51-56H,13-14H2/t29-,30-,34-,35-,36+,37+,38-,39+,41-,42-/m1/s1
SMILES O=c1cc(-c2ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc5)oc34)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePsilotaceaePsilotum nudum Ref.
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