LIPID MAPS

Structure Database (LMSD)

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Common Name

Oblatone F

Systematic Name

Synonyms

LM ID

LMPK13070012

Formula

C₂₅H₃₈O₄

Exact Mass

Calculate m/z

402.27701

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)

CSDHZVJVEIDABE-JKHKTYJBSA-N

InChi (Click to copy)

InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)25-23(28)19-21(26)20-24(25)29-2/h5-6,12-13,19-20,26,28H,3-4,7-11,14-18H2,1-2H3/b6-5-,13-12-

SMILES (Click to copy)

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

Other Databases

PubChem CID

171120735

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 1

Aromatic Rings 1

Rotatable Bonds 16

Van der Waals Molecular Volume 437.12

Topological Polar Surface Area 66.76

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 7.10

Molar Refractivity 120.01

Admin

Created at

17th Jun 2021

Updated at