Structure database (LMSD)

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LM IDLMPK12010001
Common NameDelphinidin (W)
Systematic Name-
Synonyms-
Exact Mass
303.0505 (neutral)    Calculate m/z:
FormulaC15H11O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAnthocyanidins [PK1201]
PubChem CID128853
KEGG IDC05908
HMDB IDHMDB0130399
InChIKeyJKHRCGUTYDNCLE-UHFFFAOYSA-O  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1(O)C=C2[O+]=C(C3=CC(O)=C(O)C(O)=C3)C(O)=CC2=C(O)C=1
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
240.01Topological Polar
Surface Area
132.68Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
7
 logP2.61Molar
Refractivity
76.05