RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0050157
RefMet name	Alteichin
Systematic name	(1S,12aR,12bS)-1,4,9,12a-tetrahydroxy-2,12b-dihydro-1H-perylene-3,10-dione
Synonyms	PubChem Synonyms
Exact mass	350.079040 (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	C20H14O6	View other entries in RefMet with this formula
Molecular descriptors
Molfile	68157 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H14O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-6,14,19,21-22,25-26H,7H2/t 14-,19+,20-/m0/s1
InChIKey	MTOHOIPTYJIUCH-KPOBHBOGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c2C(=O)C[C@@H]([C@@H]3c2c1c1ccc(c2C(=O)C=C[C@@]3(c12)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Aromatic polyketides
Sub Class	Naphthalenes and naphthoquinones
Distribution of Alteichin 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 Alteichin
External Links
Pubchem CID	125848
ChEBI ID	2614
KEGG ID	C10295
EPA CompTox	DTXCID30224611
NPAtlas DB	NP015580
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)