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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N2O3
Molecular Weight 248.2777
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLIC 3-HYDROXYMELATONIN

SMILES

[H][C@@]12NC3=C(C=C(OC)C=C3)[C@]1(O)CCN2C(C)=O

InChI

InChIKey=VADOSKJWFKUPQF-QWHCGFSZSA-N
InChI=1S/C13H16N2O3/c1-8(16)15-6-5-13(17)10-7-9(18-2)3-4-11(10)14-12(13)15/h3-4,7,12,14,17H,5-6H2,1-2H3/t12-,13+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
CYCLIC 3-HYDROXYMELATONIN
Common Name English
ETHANONE, 1-((3AR,8AS)-3,3A,8,8A-TETRAHYDRO-3A-HYDROXY-5-METHOXYPYRROLO(2,3-B)INDOL-1(2H)-YL)-
Systematic Name English
C3HOM
Common Name English
Code System Code Type Description
FDA UNII
YCG9VDC7QG
Created by admin on Sat Dec 16 19:01:45 GMT 2023 , Edited by admin on Sat Dec 16 19:01:45 GMT 2023
PRIMARY
PUBCHEM
100952227
Created by admin on Sat Dec 16 19:01:45 GMT 2023 , Edited by admin on Sat Dec 16 19:01:45 GMT 2023
PRIMARY
CAS
220890-80-2
Created by admin on Sat Dec 16 19:01:45 GMT 2023 , Edited by admin on Sat Dec 16 19:01:45 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of MELATONIN
NIH
NCATS
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