Structure Database (LMSD)

Common Name
5-Methyl-6-hydroxyluteolinidin
Systematic Name
6,7,3',4'-Tetrahydroxy-5-methoxy-flavylium
Synonyms
LM ID
LMPK12010443
Formula
C16H15O6
Exact Mass
Calculate m/z
303.086865
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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/

String Representations

InChiKey (Click to copy)
BPBQZNORPLQIOS-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-16-9-3-5-13(8-2-4-10(17)11(18)6-8)22-14(9)7-12(19)15(16)20/h2-7,9,12,19H,1H3,(H2-,17,18,20)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3C=CC(O)=C(O)C=3)C=CC2C(OC)=C1O

Other Databases

CHEBI ID
179670
METABOLOMICS ID
FL7DECNS0001
PubChem CID
44257042

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 272.96
Topological Polar Surface Area 101.45
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 1.73
Molar Refractivity 78.46

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Updated at
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