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HRM : Summary
Code
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HRM
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One-letter code
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X
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Molecule name
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7-METHOXY-1-METHYL-9H-BETA-CARBOLINE
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Synonyms
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7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]INDOL
HARMINE
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Systematic names
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Formula
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C13 H12 N2 O
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Formal charge
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0
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Molecular weight
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212.247 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
n3ccc2c1c(cc(OC)cc1)nc2c3C |
SMILES
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CACTVS |
3.341 |
COc1ccc2c([nH]c3c(C)nccc23)c1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC |
Canonical SMILES
|
CACTVS |
3.341 |
COc1ccc2c([nH]c3c(C)nccc23)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC |
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IUPAC InChI | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 |
IUPAC InChI key | BXNJHAXVSOCGBA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (16 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2007-07-25
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Last modified at
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2020-05-27
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Status
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Released
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Obsoleted
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Not Assigned
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