Structure Database (LMSD)

Common Name
Erosenone
Systematic Name
Synonyms
LM ID
LMPK12050457
Formula
C19H14O7
Exact Mass
Calculate m/z
354.073955
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)
VTWYRBBCPYEEJM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O7/c1-22-14-6-15-19(26-8-25-15)18(21)16(14)11-7-24-13-5-12-9(2-3-23-12)4-10(13)17(11)20/h2-6,11,21H,7-8H2,1H3
SMILES (Click to copy)
C12OC=CC1=CC1C(=O)C(C3=C(OC)C=C4OCOC4=C3O)COC=1C=2

Other Databases

METABOLOMICS ID
FLIB1LNF0005
PubChem CID
44257379

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 294.07
Topological Polar Surface Area 91.73
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.14
Molar Refractivity 89.94

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Updated at
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