Structure Database (LMSD)

Common Name
Fasciculiferin
Systematic Name
Synonyms
LM ID
LMPK12113390
Formula
C16H10O7
Exact Mass
Calculate m/z
314.042655
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KTGIGCXEXRYMMK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H10O7/c17-6-1-2-7-12(3-6)22-14-8-4-10(18)11(19)5-9(8)16(21)23-15(14)13(7)20/h1-5,16-19,21H
SMILES (Click to copy)
C1(O)=CC2OC3C4C=C(O)C(O)=CC=4C(O)OC=3C(=O)C=2C=C1

Other Databases

CHEBI ID
185651
METABOLOMICS ID
FL5FPTNS0004
PubChem CID
44260090

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 243.63
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.86
Molar Refractivity 78.61

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Updated at
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