input word = C00037409

Metabolite InformationStructural formula
Name Lawsonin
(+)-Lawsonin
Formula C40H58O5
Mw 618.42842496
CAS RN 403501-43-9
C_ID C00037409 ,
InChIKey RJCRFHJGGDYWLJ-RMYPHMKQNA-N
InChICode InChI=1S/C40H58O5/c1-25-14-18-36(5)22-23-39(8)38(7)20-15-30-35(3,4)32(45-33(42)13-11-27-10-12-28(41)29(24-27)44-9)17-19-37(30,6)31(38)16-21-40(39,43)34(36)26(25)2/h10-13,16,21,24-26,30-32,34,41,43H,14-15,17-20,22-23H2,1-9H3/b13-11+/t25-,26+,30+,31-,32+,34-,36-,37+,38-,39+,40-/m1/s1
SMILES [C@@]12([C@H]([C@]3([C@@](CC1)([C@]1([C@H](C=C3)[C@@]3([C@@H](CC1)C([C@H](CC3)OC(=O)/C=C/c1ccc(c(c1)OC)O)(C)C)C)C)C)O)[C@H]([C@@H](CC2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaeLawsonia alba Ref.
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