LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Averufin

Systematic Name

2-Methyl-7,9,11-trihydroxy-3,4,5,6-tetrahydro-2,6-epoxy-2H-anthra(2,3-b)oxocin-8,13-dione

Synonyms

LM ID

LMPK13040033

Formula

C₂₀H₁₆O₇

Exact Mass

Calculate m/z

368.089605

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

Aspergillus sp. (#5065)

Eurotiomycetes (#147545)

The antifungal metabolites obtained from the rhizospheric Aspergillus sp. YIM PH30001 against pathogenic fungi of Panax notoginseng.,
Nat Prod Res, 2014

Pubmed ID: 25022791

String Representations

InChiKey (Click to copy)

RYFFZJHGQCKWMV-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3

SMILES (Click to copy)

C12C=C3C(C4CCCC(C)(O3)O4)=C(O)C=1C(=O)C1=C(C=C(O)C=C1O)C2=O

Other Databases

PubChem CID

131171

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 5

Aromatic Rings 2

Rotatable Bonds 0

Van der Waals Molecular Volume 311.37

Topological Polar Surface Area 117.43

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 3.22

Molar Refractivity 91.97

Admin

Created at

6th May 2021

Updated at