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HBO : Summary
Code ![](/pdbe/static/images/help.png)
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HBO
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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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2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE
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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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C9 H9 N O5
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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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211.171 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 |
10.04 |
O=C1N(O)c2c(OC1O)cc(OC)cc2 |
SMILES
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CACTVS |
3.341 |
COc1ccc2N(O)C(=O)[CH](O)Oc2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1ccc2c(c1)OC(C(=O)N2O)O |
Canonical SMILES
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CACTVS |
3.341 |
COc1ccc2N(O)C(=O)[C@H](O)Oc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1ccc2c(c1)O[C@H](C(=O)N2O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GDNZNIJPBQATCZ-SECBINFHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (15 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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2000-07-12
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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