Structure Database (LMSD)

Common Name
Gallocatechin-4beta-ol
Systematic Name
Synonyms
LM ID
LMPK12020209
Formula
C15H14O8
Exact Mass
Calculate m/z
322.06887
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ZEACOKJOQLAYTD-SOUVJXGZSA-N
InChi (Click to copy)
InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)[C@@H](O)C=2C(O)=C1

Other Databases

KEGG ID
C05909
CHEBI ID
6417
METABOLOMICS ID
FL6DAGNS0001
PubChem CID
440835

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 263.66
Topological Polar Surface Area 152.91
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 8
logP 1.03
Molar Refractivity 76.06

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Updated at
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