RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0049631
RefMet name	Distemonanthin
Systematic name	3,4,8,10-tetrahydroxy-9-methoxyisochromeno[4,3-b]chromene-5,7-dione
Synonyms	PubChem Synonyms
Exact mass	358.032485 (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	C17H10O9	View other entries in RefMet with this formula
Molecular descriptors
Molfile	26472 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C17H10O9/c1-24-15-7(19)4-8-10(12(15)21)13(22)16-14(25-8)5-2-3-6(18)11(20)9(5)17(23)26-16/h2-4,18-21H,1H3
InChIKey	SLUGCDLLXDGNNT-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COc1c(cc2c(c1O)c(=O)c1c(c3ccc(c(c3c(=O)o1)O)O)o2)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Flavones
Distribution of Distemonanthin 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 Distemonanthin
External Links
Pubchem CID	135873706
LIPID MAPS	LMPK12113389
ChEBI ID	166626
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)