Structure Database (LMSD)

Common Name
Oxidihydroartocarpesin
Systematic Name
Synonyms
LM ID
LMPK12110893
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
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)
IOJDDCZZTXEPMG-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-20(2,26)6-5-12-14(23)8-17-18(19(12)25)15(24)9-16(27-17)11-4-3-10(21)7-13(11)22/h3-9,21-23,25-26H,1-2H3/b6-5+
SMILES (Click to copy)
C1(O)=CC2OC(C3C(O)=CC(O)=CC=3)=CC(=O)C=2C(O)=C1/C=C/C(O)(C)C

Other Databases

HMDB ID
HMDB0137144
CHEBI ID
175778
METABOLOMICS ID
FL3FALNI0004
PubChem CID
44258290

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 322.55
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.25
Molar Refractivity 100.53

Admin

Created at
-
Updated at
-