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4'-demethylepipodophyllotoxin

Properties

Image

Occurences in reactions

MNX_ID

MNXM151038

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₂₀O₈

charge

mass

400.11582

reference

chebi:74422

InChIKey

YVCVYCSAAZQOJI-JHQYFNNDSA-N

InChI

InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1

SMILES

COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74422 chebi:74422	4'-demethylepipodophyllotoxin (-)-4'-demethylepipodophyllotoxin (5R,5aR,8aR,9S)-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one 4'-O-demethyl-4-epipodophyllotoxin 4'-O-demethylepipodophyllotoxin 4'-demethyl-9-epipodophyllotoxin DMEP epi-4'-demethylpodophyllotoxin
metacyc.compound:CPD-18757 metacycM:CPD-18757 seed.compound:cpd33494 seedM:cpd33494	(-)-4'-demethyl-epipodophyllotoxin (10R,11R,15R,16S)-16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one etoposide aglycone
kegg.compound:C21185 keggC:C21185	4'-Demethylepipodophyllotoxin (-)-4'-Demethylepipodophyllotoxin (5R,5aR,8aR,9S)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
keggC:M_C21185 seedM:M_cpd33494	secondary/obsolete/fantasy identifier