LIPID MAPS

Structure Database (LMSD)

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Systematic Name

9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one

Synonyms

LM ID

LMPK12110073

Formula

C₁₈H₁₂O₄

Exact Mass

Calculate m/z

292.07356

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)

GXSJXEFHFQTQND-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C18H12O4/c1-20-18-16-12(7-8-21-16)9-13-14(19)10-15(22-17(13)18)11-5-3-2-4-6-11/h2-10H,1H3

SMILES (Click to copy)

C12C(=O)C=C(C3C=CC=CC=3)OC=1C(OC)=C1OC=CC1=C2

Other Databases

CHEBI ID

196224

METABOLOMICS ID

FL3F39NF0001

PubChem CID

44257589

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 4

Aromatic Rings 4

Rotatable Bonds 2

Van der Waals Molecular Volume 238.32

Topological Polar Surface Area 52.58

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 4

logP 5.11

Molar Refractivity 84.35

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