Structure Database (LMSD)

Common Name
Flemichapparin C
Systematic Name
3-Methoxy-8,9-methylenedioxycoumestan
Synonyms
LM ID
LMPK12090027
Formula
C17H10O6
Exact Mass
Calculate m/z
310.04774
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Coumestan flavonoids [PK1209]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ZIZYKBRERUNPAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O6/c1-19-8-2-3-9-11(4-8)23-17(18)15-10-5-13-14(21-7-20-13)6-12(10)22-16(9)15/h2-6H,7H2,1H3
SMILES (Click to copy)
C1(OC)C=CC2C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=2C=1

Other Databases

CHEBI ID
196311
METABOLOMICS ID
FLIE1CNS0003
PubChem CID
11088179

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 239.78
Topological Polar Surface Area 73.34
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.20
Molar Refractivity 80.78

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Updated at
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