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etoposide

PropertiesImage
MNX_IDMNXM731656 Image of MNXM731656
referencechebi:4911
formulaC29H32O13
global charge0
mol weight588.562
InChIKeyVJJPUSNTGOMMGY-MRVIYFEKSA-N
InChIInChI=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
SMILESCOC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM731656
SMILES (mnx)[CH3:1][C@@H:11]1[O:36][CH2:9][C@@H:20]2[C@H:27]([C@H:24]([OH:31])[C@@H:25]([OH:32])[C@H:29]([O:42][C@@H:26]3[C:14]4=[CH:7][C:17]5=[C:16]([CH:6]=[C:13]4[C@@H:21]([C:12]4=[CH:4][C:18]([O:34][CH3:2])=[C:23]([OH:30])[C:19]([O:35][CH3:3])=[CH:5]4)[C@@H:22]4[C@@H:15]3[CH2:8][O:37][C:28]4=[O:33])[O:38][CH2:10][O:39]5)[O:41]2)[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:4911
chebi:4911
VJJPUSNTGOMMGY-MRVIYFEKSA-N 		etoposide
(-)-etoposide
(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside
4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside)
4-demethylepipodophyllotoxin beta-D-ethylideneglucoside
9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-d)-1,3-dioxol-6(5aH)-one
Eposin
Etopophos
Etoposide
Etoposido
Lastet
Toposar
VP-16
Vepesid
etoposidum
trans-Etoposide

kegg.drug:D00125
keggD:D00125
VJJPUSNTGOMMGY-MRVIYFEKSA-N 		Etoposide (JP18/USP/INN)
Vepesid (TN)
hmdb:HMDB0014911
VJJPUSNTGOMMGY-MRVIYFEKSA-N 		Etoposide
(-)-Etoposide
(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-12-one
4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-b-D-glucopyranoside)
4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside)
4-Demethylepipodophyllotoxin b-D-ethylideneglucoside
4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside
9-((4,6-O-Ethylidine-b-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-D)-1,3-dioxol-6(5ah)-one
9-((4,6-O-Ethylidine-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,4-dimethyloxyphenyl)furo(3',4'':6,7)naptho-(2,3-D)-1,3-dioxol-6(5ah)-one
Baxter brand OF etoposide
Baxter oncology brand OF etoposide
Bristol myers brand OF etoposide
Bristol myers squibb brand OF etoposide
Bristol-myers brand OF etoposide
Bristol-myers squibb brand OF etoposide
Celltop
Demethyl epipodophyllotoxin ethylidine glucoside
Eposide
Eposin
Eto gry
Eto-gry
Etomedac
Etopophos
Etopos
Etoposide pierre fabre
Etoposide teva
Etoposide, (5S)-isomer
Etoposide, (5a alpha)-isomer
Etoposide, (5a alpha,9 alpha)-isomer
Etoposide, alpha D glucopyranosyl isomer
Etoposide, alpha-D-glucopyranosyl isomer
Etoposido
Etoposido ferrer farma
Etoposidum
Exitop
Ferrer brand OF etoposide
Gry brand OF etoposide
Lastet
Lemery brand OF etoposide
Medac brand OF etoposide
Novartis brand OF etoposide
Onkoposid
Onkoworks brand OF etoposide
Pharmachemie brand OF etoposide
Pierre fabre brand OF etoposide
Prasfarma brand OF etoposide
Riboposid
Ribosepharm brand OF etoposide
Sanfer brand OF etoposide
Tedec meiji brand OF etoposide
Teva brand OF etoposide
Teva, etoposide
Toposar
VP 16
VP-16
Vepesid
Vepeside sandoz
Vepeside-sandoz
alpha-D-Glucopyranosyl isomer etoposide
trans-Etoposide

sabiork.compound:5674
sabiorkM:5674
kegg.compound:C01576
keggC:C01576
VJJPUSNTGOMMGY-MRVIYFEKSA-N 		Etoposide
VP-16

seed.compound:cpd01110
seedM:cpd01110
VJJPUSNTGOMMGY-MRVIYFEKSA-N 		VP-16
Etoposide

hmdb:HMDB14911
keggC:M_C01576
keggD:M_D00125
seedM:M_cpd01110 		secondary/obsolete/fantasy identifier