Structure Database (LMSD)

O O OH OH OH HO + O
Common Name
Malvidin
Systematic Name
Synonyms
LM ID
LMPK12010004
Formula
C17H15O7
Exact Mass
Calculate m/z
331.08178
Status
Active
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Classification

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

String Representations

InChiKey (Click to copy)
KZMACGJDUUWFCH-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3=CC(OC)=C(O)C(OC)=C3)C(O)=CC2=C(O)C=1

References

Other Databases

Wikipedia
Malvidin
KEGG ID
C08716
HMDB ID
HMDB0131420
CHEBI ID
6674
PubChem CID
159287

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 274.61
Topological Polar Surface Area 110.68
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.22
Molar Refractivity 85.82

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Updated at
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