Structure Database (LMSD)

OH OH OH OH OH HO + O
Common Name
Delphinidin
Systematic Name
Synonyms
LM ID
LMPK12010001
Formula
C15H11O7
Exact Mass
Calculate m/z
303.05048
Status
Active
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Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Anthocyanidins [PK1201]

String Representations

InChiKey (Click to copy)
JKHRCGUTYDNCLE-UHFFFAOYSA-O
InChi (Click to copy)
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
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3=CC(O)=C(O)C(O)=C3)C(O)=CC2=C(O)C=1

References

Other Databases

Wikipedia
Delphinidin
KEGG ID
C05908
HMDB ID
HMDB0130399
CHEBI ID
28436
PubChem CID
128853
PDB ID
DLM

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 240.01
Topological Polar Surface Area 132.68
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 7
logP 2.61
Molar Refractivity 76.05

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Created at
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Updated at
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