input word = C00006506

Metabolite InformationStructural formula
Name Amentoflavone 7,4',4'''-tri-O-glucoside
Formula C48H48O25
Mw 1024.24846709
CAS RN 93078-96-7
C_ID C00006506 ,
InChIKey OOPHKMXGBAMCDA-PLMFGJNCNA-N
InChICode InChI=1S/C48H48O25/c49-13-30-36(57)39(60)42(63)46(71-30)66-18-4-1-16(2-5-18)27-12-25(56)35-23(54)10-22(53)33(45(35)69-27)20-7-17(3-6-26(20)70-48-44(65)41(62)38(59)32(15-51)73-48)28-11-24(55)34-21(52)8-19(9-29(34)68-28)67-47-43(64)40(61)37(58)31(14-50)72-47/h1-12,30-32,36-44,46-54,57-65H,13-15H2/t30-,31+,32+,36-,37-,38-,39+,40+,41+,42-,43-,44+,46-,47-,48-/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[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)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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OrganismPsilotum nudum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 645,Biflavonyls

Markham,Phyotchem.,23,(1984),2053