Structure Database (LMSD)

Common Name
Homoferreirin
Systematic Name
Synonyms
LM ID
LMPK12050502
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LMLDNMHDNFCNCW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C=C3OC)C(=O)C=2C(O)=C1

Other Databases

KEGG ID
C10457
HMDB ID
HMDB0030111
CHEBI ID
5754
METABOLOMICS ID
FLIBALNS0004
PubChem CID
442788

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.76
Molar Refractivity 82.37

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Updated at
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