input word = C00053093

Metabolite InformationStructural formula
Name Estrone 3-sulfate
Formula C18H22O5S
Mw 350.11879454
CAS RN 481-97-0
C_ID C00053093
InChIKey JKKFKPJIXZFSSB-CBZIJGRNSA-N
InChICode InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
SMILES O=C1CC[C@@]2([H])[C@]3([H])CCC4=C(C=CC(OS(O)(=O)=O)=C4)[C@@]3([H])CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
--Paraburkholderia phymatum Ref.
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