LIPID MAPS

Structure Database (LMSD)

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Common Name

Moniliferone B

Systematic Name

Synonyms

LM ID

LMPK13070045

Formula

C₂₆H₃₆O₄

Exact Mass

Calculate m/z

412.26136

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cystophora monilifera (#698722)

Phaeophyceae (#2870)

HPLC-NMR and HPLC-MS investigation of antimicrobial constituents in Cystophora monilifera and Cystophora subfarcinata.,
Phytochemistry, 2015

Pubmed ID: 26093325

String Representations

InChiKey (Click to copy)

YTHCLWOOCGCXRD-DOFZRALJSA-N

InChi (Click to copy)

InChI=1S/C26H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-24(29)20-22(27)21-25(26)30/h6-7,9-10,12-13,15-16,20-21,27,29-30H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-

SMILES (Click to copy)

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

Other Databases

PubChem CID

139586974

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 15

Van der Waals Molecular Volume 449.14

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 7.13

Molar Refractivity 124.17

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Created at

14th Sep 2021

Updated at