LIPID MAPS

Structure Database (LMSD)

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Common Name

alpha-zearalenol

Systematic Name

Synonyms

LM ID

LMPK15030066

Formula

C₁₈H₂₄O₅

Exact Mass

Calculate m/z

320.162375

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Chaetosphaeronema sp. (#1755421)

Dothideomycetes (#147541)

A new resorcylic acid lactone from the endophytic fungus Chaetosphaeronema sp.,
J Asian Nat Prod Res, 2024

Pubmed ID: 38629616

String Representations

InChiKey (Click to copy)

FPQFYIAXQDXNOR-QDKLYSGJSA-N

InChi (Click to copy)

InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1

SMILES (Click to copy)

C1(O)=CC(O)=CC2C=CCCC[C@@H](O)CCC[C@H](C)OC(=O)C1=2

Other Databases

KEGG ID

C14750

CHEBI ID

35065

PubChem CID

5284645

PDB ID

36J

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 2

Aromatic Rings 1

Rotatable Bonds

Van der Waals Molecular Volume 315.09

Topological Polar Surface Area 89.06

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 5

logP 3.94

Molar Refractivity 88.42

Admin

Created at

18th Apr 2024

Updated at