input word = C00014673

Metabolite InformationStructural formula
Name Licoagrone
Formula C45H42O10
Mw 742.27779756
CAS RN 228099-12-5
C_ID C00014673 ,
InChIKey MEJLVLSNRYLDSG-MDCVPAOJNA-N
InChICode InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3/b40-20-/t45-/m1/s1
SMILES c1c(c(c2c(c1)C(=O)/C(=C/c1cc(c(cc1[C@]1(C(=O)c3c(O1)cc(c(c3)CC=C(C)C)O)C(=O)c1ccc(c(c1)CC=C(C)C)O)O)O)/O2)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
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OrganismGlycyrrhiza glabra
ReferenceAsada,Phytochem.,50,(1999),1015