Structure Database (LMSD)

Common Name
Gancaonin P 3'methyl ether
Systematic Name
Synonyms
LM ID
LMPK12112394
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
Status
Curated
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)
UXTFKMCFQVSJLL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-10(2)4-6-12-14(23)9-16-17(18(12)24)19(25)20(26)21(28-16)11-5-7-13(22)15(8-11)27-3/h4-5,7-9,22-24,26H,6H2,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

HMDB ID
HMDB0040813
CHEBI ID
175905
METABOLOMICS ID
FL5FADNI0001
PubChem CID
5317483

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 339.85
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.70
Molar Refractivity 104.37

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Updated at
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