LIPID MAPS

Structure Database (LMSD)

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Common Name

Oblatone C

Systematic Name

Synonyms

LM ID

LMPK13070009

Formula

C₂₅H₃₈O₅

Exact Mass

Calculate m/z

418.271925

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MPYPBTNDJDNXSI-DTQAZKPQSA-N

InChi (Click to copy)

InChI=1S/C25H38O5/c1-3-15-20(26)16-13-11-9-7-5-4-6-8-10-12-14-17-22(28)25-23(29)18-21(27)19-24(25)30-2/h13,16,18-19,27,29H,3-12,14-15,17H2,1-2H3/b16-13+

SMILES (Click to copy)

C1(O)=CC(O)=CC(OC)=C1C(=O)CCCCCCCCCCC/C=C/C(=O)CCC

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

171120732

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 17

Van der Waals Molecular Volume 445.91

Topological Polar Surface Area 83.83

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 6.51

Molar Refractivity 120.50

Admin

Created at

17th Jun 2021

Updated at