Structure Database (LMSD)

Common Name
Leachianone D
Systematic Name
Synonyms
LM ID
LMPK12140480
Formula
C26H30O7
Exact Mass
Calculate m/z
454.199155
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
OUUMDNLSQJEMRV-CMDGGOBGSA-N
InChi (Click to copy)
InChI=1S/C26H30O7/c1-14(2)15(8-9-26(3,4)31)10-18-19(28)12-20(29)24-21(30)13-23(33-25(18)24)17-7-6-16(27)11-22(17)32-5/h6-9,11-12,15,23,27-29,31H,1,10,13H2,2-5H3/b9-8+
SMILES (Click to copy)
C1C(O)=C(CC(C(=C)C)/C=C/C(O)(C)C)C2OC(C3C(OC)=CC(O)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
187639
METABOLOMICS ID
FL2FALNI0019
PubChem CID
42608027

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 437.25
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.87
Molar Refractivity 124.70

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Updated at
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