input word = C00058478

Metabolite InformationStructural formula
Name Estradiol
Formula C18H24O2
Mw 272.17763001
CAS RN 50-28-2
C_ID C00058478
InChIKey VOXZDWNPVJITMN-ZBRFXRBCSA-N
InChICode InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
SMILES C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
ReferenceS. M. A. El Wahab et al., Chem. Abs., (1998), 129, 287784.