input word = C00003662

Metabolite InformationStructural formula
Name Miroestrol
Formula C20H22O6
Mw 358.14163844
CAS RN 2618-41-9
C_ID C00003662 ,
InChIKey RJKLDOLOCIQYFS-AVTMYERMNA-N
InChICode InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
SMILES c1c(cc2c(c1)[C@@H]1C(=CO2)[C@]2([C@H]3[C@@H](C1(C)C)C[C@]([C@@H]3O)(CC2=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria candollei var. mirifica Ref.
PlantaeFabaceaePueraria mirifica Ref.
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OrganismPueraria candollei var. mirifica
ReferenceSuntichaikamolkul, N. et al., BMC Plant Biol., 19 (2019), 581.