Structure Database (LMSD)

O O O HO OH O O
Common Name
Heteroflavanone C
Systematic Name
Synonyms
LM ID
LMPK12140478
Formula
C23H26O7
Exact Mass
Calculate m/z
414.167855
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
LKUWYFZLCAUAGB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3
SMILES (Click to copy)
C1C(O)=C(C/C=C(\C)/C)C2OC(C3C(OC)=CC(OC)=CC=3OC)CC(=O)C=2C=1O

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0041256
CHEBI ID
175311
METABOLOMICS ID
FL2FALNI0017
PubChem CID
42608025

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 387.99
Topological Polar Surface Area 96.52
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.34
Molar Refractivity 111.32

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Created at
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Updated at
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