Structure Database (LMSD)

Common Name
8-Hydroxygalangin 7-methyl ether 8-butyrate
Systematic Name
Synonyms
LM ID
LMPK12113100
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
HVJUOMVSARTYMR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-3-7-14(22)26-19-13(25-2)10-12(21)15-16(23)17(24)18(27-20(15)19)11-8-5-4-6-9-11/h4-6,8-10,21,24H,3,7H2,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC(CCC)=O)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
197131
METABOLOMICS ID
FL5FF9NS0013
PubChem CID
13888645

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 322.55
Topological Polar Surface Area 106.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.49
Molar Refractivity 98.45

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Updated at
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