RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0157831
RefMet name	Etoposide
Systematic name	Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside
Synonyms	PubChem Synonyms
Exact mass	588.184291 (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	C29H32O13	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43068 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4 -18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
InChIKey	VJJPUSNTGOMMGY-MRVIYFEKSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H]1OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]2c3cc4c(cc3[C@@H](c3cc(c(c(c3)OC)O)OC)[C@@H]3[C@@H]2COC3=O)OCO4)O)O)O1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Lignans
Main Class	Lignan lactones
Sub Class	Lignan lactones
Distribution of Etoposide 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 Etoposide
External Links
Pubchem CID	36462
ChEBI ID	4911
KEGG ID	C01576
HMDB ID	HMDB0014911
Chemspider ID	33510
EPA CompTox	DTXCID40209252
Spectral data for Etoposide standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)