Structure Database (LMSD)

Common Name
6-Hydroxycyanidin
Systematic Name
3,5,6,7,3',4'-Hexahydroxyflavylium
Synonyms
LM ID
LMPK12010428
Formula
C15H11O7
Exact Mass
Calculate m/z
303.05048
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Alstroemeria (#56741)
Magnoliopsida (#3398)
Anthocyanidin glycosides from the flowers of Alstroemeria,
Phytochemistry, 1985

String Representations

InChiKey (Click to copy)
PWDAKBACEAGRSH-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5H,(H5-,16,17,18,19,20,21)/p+1
SMILES (Click to copy)
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O)=CC=2C(O)=C1O

Other Databases

KEGG ID
C08646
HMDB ID
HMDB0130398
CHEBI ID
28090
METABOLOMICS ID
FL7AECNS0001
PubChem CID
441697

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
6th Feb 2025