Structure Database (LMSD)
Common Name
Aurantinidin
Systematic Name
6-Hydroxypelargonidin
Synonyms
3D model of Aurantinidin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
VGONRPRFJVEJKB-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-11(18)5-9-12(21-15)6-10(17)14(20)13(9)19/h1-6H,(H4-,16,17,18,19,20)/p+1
SMILES (Click to copy)
C1(O)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O)=CC=2C(O)=C1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
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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