Structure Database (LMSD)

Common Name
Dihydrobaicalein
Systematic Name
Synonyms
LM ID
LMPK12140610
Formula
C15H12O5
Exact Mass
Calculate m/z
272.068475
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GPDJGLOROGNHJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-5,7,11,17-19H,6H2
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(O)=C1O

Other Databases

HMDB ID
HMDB0134891
CHEBI ID
196258
METABOLOMICS ID
FL2FE9NS0001
PubChem CID
9816931

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 234.65
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.51
Molar Refractivity 70.19

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Updated at
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