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H68 : Summary
Code ![](/pdbe/static/images/help.png)
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H68
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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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Tetrahydrocolumbamine
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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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C20 H23 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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341.401 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)O)OC |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KDFKJOFJHSVROC-INIZCTEOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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48 (25 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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2018-11-16
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Last modified at ![](/pdbe/static/images/help.png)
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2019-03-22
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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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