Structure Database (LMSD)

Common Name
Distemonanthin
Systematic Name
Synonyms
LM ID
LMPK12113389
Formula
C17H10O9
Exact Mass
Calculate m/z
358.032485
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)
SLUGCDLLXDGNNT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O9/c1-24-15-7(19)4-8-10(12(15)21)13(22)16-14(25-8)5-2-3-6(18)11(20)9(5)17(23)26-16/h2-4,18-21H,1H3
SMILES (Click to copy)
C1(O)=CC2OC3C4C=CC(O)=C(O)C=4C(=O)OC=3C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FPTNS0003
PubChem CID
44260089

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 4
Rotatable Bonds 1
Van der Waals Molecular Volume 264.97
Topological Polar Surface Area 150.57
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 3.68
Molar Refractivity 89.46

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Updated at
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