RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0205030
RefMet name	Citreoviridin
Synonyms	PubChem Synonyms
Exact mass	402.204240 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C23H30O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	95483 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8 -7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1
InChIKey	JLSVDPQAIKFBTO-OMCRQDLASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C/C(=C[C@@]1(C)[C@@H]([C@](C)([C@@H](C)O1)O)O)/C=C/C=C/C=C/c1c(C)c(cc(=O)o1)OC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Pyrans
Sub Class	Pyranones
Distribution of Citreoviridin in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Citreoviridin
External Links
Pubchem CID	6436023
ChEBI ID	80713
NPAtlas DB	NPA023799
Spectral data for Citreoviridin standards
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)