Structure Database (LMSD)

Common Name
3',4',5'-Trihydroxywogonin
Systematic Name
Synonyms
LM ID
LMPK12111411
Formula
Exact Mass
Calculate m/z
332.05322
Status
Curated

Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FMMAFSFULCBCAE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O8/c1-23-15-11(21)4-7(17)13-8(18)5-12(24-16(13)15)6-2-9(19)14(22)10(20)3-6/h2-5,17,19-22H,1H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C(O)=C1

Other Databases

HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 264.78
Topological Polar Surface Area 140.59
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.90
Molar Refractivity 82.90

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Updated at
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