Structure Database (LMSD)

HO HO OH OH O O
Common Name
(+-)-Dalbergioidin
Systematic Name
Synonyms
LM ID
LMPK12050500
Formula
C15H12O6
Exact Mass
Calculate m/z
288.06339
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
WNHXBLZBOWXNQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H,6H2
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

KEGG ID
C10415
HMDB ID
HMDB0032707
CHEBI ID
65
METABOLOMICS ID
FLIBALNS0002
PubChem CID
181994

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 243.44
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.15
Molar Refractivity 72.60

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Updated at
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