LIPID MAPS

Structure Database (LMSD)

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Common Name

Moniliferone D

Systematic Name

Synonyms

LM ID

LMPK13070046

Formula

C₂₂H₃₂O₄

Exact Mass

Calculate m/z

360.23006

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

OLPSQQCRGWVMPG-NQLNTKRDSA-N

InChi (Click to copy)

InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22-20(25)16-18(23)17-21(22)26/h7-8,10-11,16-17,23,25-26H,2-6,9,12-15H2,1H3/b8-7-,11-10-

SMILES (Click to copy)

C(CCCC/C=C\C/C=C\CCCCCC)(=O)C1=C(O)C=C(O)C=C1O

References

Other Databases

PubChem CID

139585729

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings 1

Rotatable Bonds 13

Van der Waals Molecular Volume 385.22

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.02

Molar Refractivity 105.89

Admin

Created at

14th Sep 2021

Updated at