LIPID MAPS

Structure Database (LMSD)

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Common Name

Austroyunone A

Systematic Name

Synonyms

LM ID

LMPK13070017

Formula

C₂₃H₃₆O₄

Exact Mass

Calculate m/z

376.26136

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

UBCHILYSRSTVMQ-WAYWQWQTSA-N

InChi (Click to copy)

InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(25)23-21(26)17-19(24)18-22(23)27-2/h5-6,17-18,24,26H,3-4,7-16H2,1-2H3/b6-5-

SMILES (Click to copy)

C1(O)=CC(O)=CC(OC)=C1C(CCCCCCCCCC/C=C\CCC)=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Syzygium oblatum (#1489816)

Magnoliopsida (#3398)

Acylphloroglucinol derivatives with ATP citrate lyase inhibitory activities from Syzygium oblatum Wall.,
Phytochemistry, 2021

Pubmed ID: 33887558

Other Databases

PubChem CID

171119352

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 405.16

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 6.55

Molar Refractivity 110.87

Admin

Created at

17th Jun 2021

Updated at