DLM
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
Created: | 2014-10-15 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium |
Synonyms | Delphinidin |
Systematic Name (OpenEye OEToolkits) | 2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol |
Formula | C15 H11 O7 |
Molecular Weight | 303.244 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | 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 |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | JKHRCGUTYDNCLE-UHFFFAOYSA-O |
Related Resource References
Resource Name | Reference |
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PubChem | 128853 |
ChEMBL | CHEMBL276780 |
ChEBI | CHEBI:28436 |