Structure Database (LMSD)

Common Name
Gancaonin F
Systematic Name
Synonyms
LM ID
LMPK12090043
Formula
C21H16O6
Exact Mass
Calculate m/z
364.09469
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)
YURHIASRSSMERJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H16O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-9,22H,1-3H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1C3OC4C=C(O)C=CC=4C=3C(=O)OC=1C=2

Other Databases

CHEBI ID
186695
METABOLOMICS ID
FLIEBANP0001
PubChem CID
5317482

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 4
Rotatable Bonds 1
Van der Waals Molecular Volume 295.44
Topological Polar Surface Area 84.11
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 5.78
Molar Refractivity 102.34

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Updated at
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