Structure Database (LMSD)

Common Name
Inucrithmin
Systematic Name
Synonyms
LM ID
LMPK12111596
Formula
C17H14O8
Exact Mass
Calculate m/z
346.06887
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
FJDSQQCZILGAIU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-12-5-8-11(6-9(12)18)25-17(16(22)14(8)20)7-3-10(19)15(21)13(4-7)24-2/h3-6,18-19,21-22H,1-2H3
SMILES (Click to copy)
C12C(=O)C(O)=C(C3C=C(O)C(O)=C(OC)C=3)OC=1C=C(O)C(OC)=C2

Other Databases

METABOLOMICS ID
FL5F2GNS0001
PubChem CID
10569574

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 282.08
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.20
Molar Refractivity 87.79

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Updated at
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