Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	22294
Common Name:	Piscerythramine
Systematic Name:	4'-Amino-5,7,3'-trihydroxy-5'-methoxy-2',6'-diprenylisoflavone
RefMet Name:	Piscerythramine
Synonyms:	[PubChem Synonyms]
Exact Mass:	451.1995 (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:	C26H29NO6
InChIKey:	FZVQFYVMVHEMPU-UHFFFAOYSA-N
LIPID MAPS Category:	Polyketides [PK]
LIPID MAPS mainclass:	Flavonoids [PK12]
LIPID MAPS subclass:	Isoflavonoids [PK1205]
SMILES:	CC(=CCc1c(c(CC=C(C)C)c(c(c1O)N)OC)c1coc2cc(cc(c2c1=O)O)O)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281802
LIPID MAPS ID:	LMPK12050157
CHEBI ID:	8251
KEGG ID:	C10518
EPA CompTox DB:	DTXCID30366045
Plant Metabolite Hub(Pmhub):	MS000021693

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