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GEN : Summary
Code
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GEN
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One-letter code
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X
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Molecule name
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GENISTEIN
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Systematic names
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Formula
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C15 H10 O5
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Formal charge
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0
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Molecular weight
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270.237 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O |
SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O |
Canonical SMILES
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CACTVS |
3.341 |
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O |
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IUPAC InChI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H |
IUPAC InChI key | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (20 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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1999-07-28
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Last modified at
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2020-06-17
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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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