LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Melilotocarpan B

Systematic Name

(6aR)-6aα,11aα-Dihydro-3-methoxy-6H-benzofuro [3,2-c][1]benzopyran-4,9-diol

Synonyms

LM ID

LMPK12070077

Formula

C₁₆H₁₄O₅

Exact Mass

Calculate m/z

286.084125

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Melilotus albus (#47082)

Magnoliopsida (#3398)

Studies on the Pterocarpans from Melilotus alba DESR.,
Chem Pharm Bull, 1986

DOI: 10.1248/cpb.30.1986

String Representations

InChiKey (Click to copy)

QDFJNOVWEADTGJ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H14O5/c1-19-12-5-4-10-15-11(7-20-16(10)14(12)18)9-3-2-8(17)6-13(9)21-15/h2-6,11,15,17-18H,7H2,1H3

SMILES (Click to copy)

C1(OC)=C(O)C2OCC3C4C=CC(O)=CC=4OC3C=2C=C1

Other Databases

HMDB ID

HMDB0029527

CHEBI ID

172519

METABOLOMICS ID

FLID3ANS0006

PubChem CID

44257459

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 4

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 242.23

Topological Polar Surface Area 72.29

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 3.00

Molar Refractivity 74.86

Admin

Created at

Updated at

16th Jul 2026