Structure Database (LMSD)

Common Name
5,4'-Dimethyl-6-hydroxyluteolinidin
Systematic Name
6,7,3'-Trihydroxy-5,4'-dimethoxy-flavylium
Synonyms
LM ID
LMPK12010444
Formula
C17H17O6
Exact Mass
Calculate m/z
317.102515
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)
PAGRNMMUPDJJNK-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-14-5-3-9(7-11(14)18)13-6-4-10-15(23-13)8-12(19)16(20)17(10)22-2/h3-8,10,12,19H,1-2H3,(H-,18,20)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3C=CC(OC)=C(O)C=3)C=CC2C(OC)=C1O

Other Databases

CHEBI ID
197250
METABOLOMICS ID
FL7DECNS0002
PubChem CID
44257043

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 290.26
Topological Polar Surface Area 90.45
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.03
Molar Refractivity 83.35

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Updated at
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