input word = C00053054

Metabolite InformationStructural formula
Name Deoxymiroestrol
Formula C20H22O5
Mw 342.14672381
CAS RN 261963-67-1
C_ID C00053054
InChIKey AZKZPXFWTQSDET-ZMNKABNMSA-N
InChICode InChI=1S/C20H22O5/c1-19(2)12-6-20(24)7-13(22)15(16(12)18(20)23)11-8-25-14-5-9(21)3-4-10(14)17(11)19/h3-5,8,12,15-18,21,23-24H,6-7H2,1-2H3/t12-,15+,16+,17+,18+,20+/m0/s1
SMILES CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@@H]2C(=O)C[C@]3(O)C[C@H]1[C@H]2[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria candollei var. mirifica Ref.
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OrganismPueraria candollei var. mirifica
ReferenceSuntichaikamolkul, N. et al., BMC Plant Biol., 19 (2019), 581.