Structure Database (LMSD)

Common Name
8-Hydroxygalangin 7-methyl ether 8-acetate
Systematic Name
Synonyms
LM ID
LMPK12113099
Formula
C18H14O7
Exact Mass
Calculate m/z
342.073955
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)
CYWVJNOMQDSVKH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O7/c1-9(19)24-17-12(23-2)8-11(20)13-14(21)15(22)16(25-18(13)17)10-6-4-3-5-7-10/h3-8,20,22H,1-2H3
SMILES (Click to copy)
C1(OC)=C(OC(=O)C)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FF9NS0012
PubChem CID
13888643

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 287.95
Topological Polar Surface Area 106.20
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 3.70
Molar Refractivity 89.22

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Updated at
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