input word = C00006504

Metabolite InformationStructural formula
Name Amentoflavone 7,4'''-di-O-glucoside
Formula C42H38O20
Mw 862.19564366
CAS RN 93078-98-9
C_ID C00006504 ,
InChIKey DWHDQHPHIGVYHP-XRGVVXBENA-N
InChICode InChI=1S/C42H38O20/c43-13-29-34(51)36(53)38(55)41(61-29)57-17-4-1-15(2-5-17)26-12-25(50)33-23(48)10-22(47)31(40(33)60-26)19-7-16(3-6-20(19)45)27-11-24(49)32-21(46)8-18(9-28(32)59-27)58-42-39(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 c1c(c(ccc1c1oc2c(c(=O)c1)c(cc(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)c1c(cc(c2c1oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePsilotaceaePsilotum nudum Ref.
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