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Ichangin 4-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM126667

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

formula

C₃₂H₄₂O₁₄

charge

mass

650.25746

reference

chebi:168813

InChIKey

MUZOGCSYWJPGRB-UHFFFAOYSA-N

InChI

InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3

SMILES

CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(c4ccoc4)OC(=O)C4OC432)C12COC(=O)CC2OC1OC(CO)C(O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168813 chebi:168813	Ichangin 4-glucoside 11-(uran-3-yl)-5-(2-hydroxypropan-2-yl)-2,10-dimethyl-4'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione
hmdb:HMDB0039340	Ichangin 4-glucoside 11'-(furan-3-yl)-5'-(2-hydroxypropan-2-yl)-2',10'-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecane]-3',6,13'-trione
hmdb:HMDB39340	secondary/obsolete/fantasy identifier