Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	21825
Common Name:	Riccionidin A
Systematic Name:	(2,3,8-trihydroxy-[1]benzofuro[3,2-b]chromen-6-ylidene)oxidanium
RefMet Name:	Riccionidin A
Synonyms:	[PubChem Synonyms]
Exact Mass:	285.0399 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C15H9O6
InChIKey:	MTJMCDKXNOATIZ-UHFFFAOYSA-O
LIPID MAPS Category:	Polyketides [PK]
LIPID MAPS mainclass:	Flavonoids [PK12]
LIPID MAPS subclass:	Anthocyanidins [PK1201]
SMILES:	c1c2cc3c(c4c(cc(cc4o3)O)O)[o+]c2cc(c1O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	441775
LIPID MAPS ID:	LMPK12010445
CHEBI ID:	8851
KEGG ID:	C08728
EPA CompTox DB:	DTXCID20282720
Plant Metabolite Hub(Pmhub):	MS000020140

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y