LIPID MAPS

Structure Database (LMSD)

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Common Name

Jambone C

Systematic Name

Synonyms

LM ID

LMPK13070040

Formula

C₂₄H₃₆O₄

Exact Mass

Calculate m/z

388.26136

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

UCOBYSXJAQLYQH-HZJYTTRNSA-N

InChi (Click to copy)

InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-22(27)18-20(25)19-23(24)28/h6-7,9-10,18-19,25,27-28H,2-5,8,11-17H2,1H3/b7-6-,10-9-

SMILES (Click to copy)

C(CCCCCCC/C=C\C/C=C\CCCCC)(=O)C1=C(O)C=C(O)C=C1O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Syzygium jambos (#334483)

Magnoliopsida (#3398)

New Phloroglucinol Derivatives from the Fruit Tree Syzygium jambos and Their Cytotoxic and Antioxidant Activities.,
J Agric Food Chem, 2015

Pubmed ID: 26554667

Other Databases

PubChem CID

132555863

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 419.82

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.80

Molar Refractivity 115.12

Admin

Created at

7th Sep 2021

Updated at