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DLM : Summary
Code 
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DLM
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One-letter code 
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X
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Molecule name 
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3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
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Synonyms 
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Delphinidin
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Systematic names 
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Formula 
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C15 H11 O7
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Formal charge 
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1
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Molecular weight 
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303.244 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O |
SMILES
|
CACTVS |
3.385 |
Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O |
Canonical SMILES
|
CACTVS |
3.385 |
Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O |
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IUPAC InChI  | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 |
IUPAC InChI key  | JKHRCGUTYDNCLE-UHFFFAOYSA-O |
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wwPDB Information |
Atom count 
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33 (22 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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2014-10-15
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Last modified at 
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2021-03-01
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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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