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MWC : Summary
Code ![](/pdbe/static/images/help.png)
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MWC
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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dihydroxy[(5-methylfuran-2-yl)methoxy]amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C6 H9 N O4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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159.14 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
ON(O)OCc1ccc(C)o1 |
SMILES
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CACTVS |
3.385 |
Cc1oc(CON(O)O)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(o1)CON(O)O |
Canonical SMILES
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CACTVS |
3.385 |
Cc1oc(CON(O)O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(o1)CON(O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H9NO4/c1-5-2-3-6(11-5)4-10-7(8)9/h2-3,8-9H,4H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SOQIEJLVISKOKS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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20 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2022-03-21
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Last modified at ![](/pdbe/static/images/help.png)
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2022-03-25
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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