LIPID MAPS

Structure Database (LMSD)

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Common Name

Jambone D

Systematic Name

Synonyms

LM ID

LMPK13070041

Formula

C₂₅H₃₈O₄

Exact Mass

Calculate m/z

402.27701

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

TTWKIXCYOFCNSJ-NQLNTKRDSA-N

InChi (Click to copy)

InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)24-23(28)19-22(27)20(2)25(24)29/h7-8,10-11,19,27-29H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-

SMILES (Click to copy)

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

132555864

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 437.12

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 7.11

Molar Refractivity 119.86

Admin

Created at

7th Sep 2021

Updated at