LIPID MAPS

Structure Database (LMSD)

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Common Name

Oblatone I

Systematic Name

Synonyms

LM ID

LMPK13070018

Formula

C₂₄H₄₀O₄

Exact Mass

Calculate m/z

392.29266

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GGRREXDQHDWFAK-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C24H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-22(28-3)18-21(26)19(2)24(23)27/h18,26-27H,4-17H2,1-3H3

SMILES (Click to copy)

C1(O)=C(C)C(O)=CC(OC)=C1C(CCCCCCCCCCCCCCC)=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

171120738

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 1

Aromatic Rings 1

Rotatable Bonds 16

Van der Waals Molecular Volume 425.10

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 7.08

Molar Refractivity 115.70

Admin

Created at

17th Jun 2021

Updated at