input word = C00003663

Metabolite InformationStructural formula
Name Oestrone
Formula C18H22O2
Mw 270.16197995
CAS RN 53-16-7
C_ID C00003663 ,
InChIKey DNXHEGUUPJUMQT-HUDMVWGVNA-N
InChICode InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
SMILES c1c(cc2c(c1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)(C(=O)CC2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaePalmaePhoenix dactylifera Ref.
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