input word = C00050327

Metabolite InformationStructural formula
Name Agigenin
Formula C27H44O5
Mw 448.31887452
CAS RN 55332-76-8
C_ID C00050327 ,
InChIKey FYRLHXNMINIDCB-OTVLIEFMNA-N
InChICode InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](O)C5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium porrum Ref.
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OrganismAllium porrum
ReferenceCarotenuto,J.Nat.Prod.,60,(1997),1003