Structure Database (LMSD)

Common Name
Riccionidin A
Systematic Name
Chromeno [3,2-b] [1] benzoxol-5-ium-2,3,6,8-tetrol
Synonyms
LM ID
LMPK12010445
Formula
C15H9O6
Exact Mass
Calculate m/z
285.039915
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Anthocyanidins [PK1201]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Ricciocarpos natans (#53035)
Marchantiopsida (#186770)
Riccionidins a and b, anthocyanidins from the cell walls of the liverwort Ricciocarpos natans,
Phytochemistry, 1993

String Representations

InChiKey (Click to copy)
MTJMCDKXNOATIZ-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H8O6/c16-7-3-10(19)14-12(4-7)20-13-2-6-1-8(17)9(18)5-11(6)21-15(13)14/h1-5H,(H3-,16,17,18,19)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C3C4C(O)=CC(O)=CC=4OC3=CC2=CC=1O

Other Databases

KEGG ID
C08728
CHEBI ID
8851
METABOLOMICS ID
FL7DUNNS0001
PubChem CID
441775

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 4
Rotatable Bonds 0
Van der Waals Molecular Volume 207.96
Topological Polar Surface Area 105.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.44
Molar Refractivity 74.56

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Created at
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Updated at
19th Nov 2024