LIPID MAPS

Structure Database (LMSD)

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Common Name

Apiocarpin

Systematic Name

Synonyms

LM ID

LMPK12070092

Formula

C₂₀H₁₈O₅

Exact Mass

Calculate m/z

338.115425

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/

Apios americana (#185702)

Magnoliopsida (#3398)

Isoflavonoid phytoalexins from fungus-inoculated leaves of Apios tuberosa,
Phytochemistry, 1982

DOI: 10.1016/0031-9422(82)80152-0

String Representations

InChiKey (Click to copy)

CCQYTBSOADZYAG-ZQGRQUNCSA-N

InChi (Click to copy)

InChI=1S/C20H18O5/c1-9(2)15-6-12-17(24-15)7-14(22)18-19(12)23-8-13-11-4-3-10(21)5-16(11)25-20(13)18/h3-5,7,13,15,20-22H,1,6,8H2,2H3/t13-,15-,20+/m0/s1

SMILES (Click to copy)

C12O[C@H](C(C)=C)CC=1C1OC[C@@]3([H])C4=CC=C(O)C=C4O[C@@]3([H])C=1C(O)=C2

Other Databases

METABOLOMICS ID

FLIDAANF0001

PubChem CID

117587659

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 5

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 296.43

Topological Polar Surface Area 74.36

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 4.16

Molar Refractivity 91.75

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Created at

Updated at

3rd Feb 2026