Structure Database (LMSD)

Common Name
Aureusidin 6-glucuronide
Systematic Name
4,6,3',4'-Tetrahydroxyaurone 6-glucuronide
Synonyms
LM ID
LMPK12130035
Formula
C21H18O12
Exact Mass
Calculate m/z
462.07983
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Conocephalum japonicum (#134427)
Marchantiopsida (#186770)
Production of an aurone by bryophytes in the reproductive phase,
Phytochemistry, 1978

String Representations

InChiKey (Click to copy)
FEUCUHLYVPMSHF-ZFORQUDYSA-N
InChi (Click to copy)
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)4-13-15(25)14-11(24)5-8(6-12(14)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES (Click to copy)
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1)C=C2O

Other Databases

METABOLOMICS ID
FL1AACGS0004
PubChem CID
42607767

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 382.34
Topological Polar Surface Area 207.58
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 1.12
Molar Refractivity 108.32

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Created at
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Updated at
7th Jan 2026