LIPID MAPS

Structure Database (LMSD)

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Common Name

Matricaria ester

Systematic Name

methyl 2Z,8Z-Decadiene-4,6-diynote

Synonyms

SFE 1:0/10:4(2Z,4Y,6Y,8Z)

LM ID

LMFA07100027

Formula

C₁₁H₁₀O₂

Exact Mass

Calculate m/z

174.06808

Sum Composition

SFE 11:6

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Tripleurospermum inodorum (#99108)

Magnoliopsida (#3398)

Crystal Structure and Biological Activity of Matricaria Ester Isolated from Tripleurospermum Inodorum (L.) Sch. Bip.,
J Struct Chem, 2018

DOI: 10.1134/S0022476618040352

String Representations

InChiKey (Click to copy)

GXPDZHWFJLUFGY-RTAKVZRXSA-N

InChi (Click to copy)

InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3-,10-9-

SMILES (Click to copy)

C(/C=C\C#CC#C/C=C\C)(=O)OC

Other Databases

PubChem CID

5319306

Calculated Physicochemical Properties

Heavy Atoms 13

Rings

Aromatic Rings

Rotatable Bonds 2

Van der Waals Molecular Volume 197.96

Topological Polar Surface Area 26.30

Hydrogen Bond Donors

Hydrogen Bond Acceptors 2

logP 1.30

Molar Refractivity 51.52

Admin

Created at

28th Aug 2026

Updated at