Structure Database (LMSD)

Common Name
Cyanidin
Systematic Name
Synonyms
LM ID
LMPK12010002
Formula
C15H11O6
Exact Mass
Calculate m/z
287.055565
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View ion mobility data

Classification

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

String Representations

InChiKey (Click to copy)
VEVZSMAEJFVWIL-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3=CC=C(O)C(O)=C3)C(O)=CC2=C(O)C=1

Other Databases

Wikipedia
Cyanidin
KEGG ID
C05905
HMDB ID
HMDB0125127
CHEBI ID
27843
PubChem CID
128861
PDB ID
HWB

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 231.22
Topological Polar Surface Area 112.45
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 2.91
Molar Refractivity 74.38

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Updated at
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