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DLM

Summary
Name:3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
Synonyms:Delphinidin
Formula:C15 H11 O7
Formal charge:1
Formula weight:303.244 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
OpenEye OEToolkits1.7.62-[3,4,5-tris(oxidanyl)phenyl]chromenylium-3,5,7-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
InChIInChI1.03InChI=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
InChIKeyInChI1.03JKHRCGUTYDNCLE-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
SMILESCACTVS3.385Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O
SMILESOpenEye OEToolkits1.7.6c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O

218853

PDB entries from 2024-04-24

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