LIPID MAPS

Structure Database (LMSD)

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Common Name

Jambone A

Systematic Name

Synonyms

Moniliferanone C

LM ID

LMPK13070042

Formula

C₂₄H₃₄O₄

Exact Mass

Calculate m/z

386.24571

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

AKARFZXNGWGWBV-PDBXOOCHSA-N

InChi (Click to copy)

InChI=1S/C24H34O4/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/h3-4,6-7,9-10,18-19,25,27-28H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-

SMILES (Click to copy)

C(CCCCCCC/C=C\C/C=C\C/C=C\CC)(=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

122217533

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 1

Aromatic Rings 1

Rotatable Bonds 14

Van der Waals Molecular Volume 417.18

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.58

Molar Refractivity 115.03

Admin

Created at

7th Sep 2021

Updated at