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ciceritol

Properties

Image

Occurences in reactions

MNX_ID

MNXM16702

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

formula

C₁₉H₃₄O₁₆

charge

mass

518.18469

reference

metacycM:CPD-8049

InChIKey

ATDWJHOSZLOQDJ-LMKXGGCJSA-N

InChI

InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1

SMILES

CO[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-8049 metacycM:CPD-8049	ciceritol O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol
hmdb:HMDB0032777	Ciceritol (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol O-α-D-galactopyranosyl-(1->6)-O-α-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol
seed.compound:cpd25013 seedM:cpd25013	O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol ciceritol
hmdb:HMDB32777 seedM:M_cpd25013	secondary/obsolete/fantasy identifier