input word = C00062242

Metabolite InformationStructural formula
Name alpha-Estradiol
Formula C18H24O2
Mw 272.17763001
CAS RN 57-91-0
C_ID C00062242
InChIKey VOXZDWNPVJITMN-SFFUCWETSA-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 CC12CCC3c4ccc(O)cc4CCC3C1CCC2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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