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EQC : Summary
Code ![](/pdbe/static/images/help.png)
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EQC
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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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Arctigenin
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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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C21 H24 O6
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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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372.412 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 |
COc1cc(C[CH]2[CH](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1OC)CC2COC(=O)C2Cc3ccc(c(c3)OC)O |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc(C[C@@H]2[C@H](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
COc1ccc(cc1OC)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NQWVSMVXKMHKTF-JKSUJKDBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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51 (27 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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2020-01-20
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Last modified at ![](/pdbe/static/images/help.png)
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2021-04-09
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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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