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

Formal Charge1
Atom Count33
Chiral Atom Count0
Bond Count35
Aromatic Bond Count17
2D diagram of DLM

Chemical Component Summary

Name3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
SynonymsDelphinidin
Systematic Name (OpenEye OEToolkits)2-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol
FormulaC15 H11 O7
Molecular Weight303.244
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
SMILESCACTVS3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
SMILESOpenEye OEToolkits1.7.6c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O
Canonical SMILESCACTVS3.385 Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
Canonical SMILESOpenEye OEToolkits1.7.6 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 JKHRCGUTYDNCLE-UHFFFAOYSA-O

Related Resource References

Resource NameReference
PubChem 128853
ChEMBL CHEMBL276780
ChEBI CHEBI:28436