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3'-demethyletoposide

Properties

Image

Occurences in reactions

MNX_ID

MNXM150749

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

formula

C₂₈H₃₀O₁₃

charge

mass

574.16864

reference

chebi:172747

InChIKey

CYOJPLOJEPTJMM-RCQFJHMNSA-N

InChI

InChI=1S/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14?,19?,20+,21?,23-,24-,25+,26?,28?/m1/s1

SMILES

COc1cc([C@H]2c3cc4c(cc3[C@H](OC3OC5CO[C@@H](C)OC5[C@H](O)[C@H]3O)C3COC(=O)C32)OCO4)cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172747 chebi:172747	3'-demethyletoposide (5R,9S)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-[[(2R,7R,8R)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5a,6,8a,9-tetrahydro-5H-[2]benzouro[6,5-][1,3]benzodioxol-8-one
hmdb:HMDB0061028	3'-demethyletoposide (10S,16R)-16-{[(2R,7R,8R)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-10-(3,4-dihydroxy-5-methoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
hmdb:HMDB61028	secondary/obsolete/fantasy identifier