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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > 4'-o-beta-d-glucose 13-hydroxyglucopiericidin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > 4'-o-beta-d-glucose 13-hydroxyglucopiericidin a
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > 4'-o-beta-d-glucose 13-hydroxyglucopiericidin a

Preferred term

4'-o-beta-d-glucose 13-hydroxyglucopiericidin a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H57NO15

inchi

  • InChI=1S/C37H57NO15/c1-18(9-8-10-19(2)15-21(4)32(20(3)13-14-39)52-36-30(46)28(44)26(42)24(16-40)50-36)11-12-23-22(5)33(34(48-6)35(38-23)49-7)53-37-31(47)29(45)27(43)25(17-41)51-37/h8,10-11,13,15,21,24-32,36-37,39-47H,9,12,14,16-17H2,1-7H3/b10-8+,18-11+,19-15+,20-13+/t21-,24-,25-,26-,27-,28+,29+,30-,31-,32+,36+,37-/m1/s1

inchikey

  • RMCUYRYTRDYBAY-WLYXSUAASA-N

mass

  • 755.855

monoisotopicmass

  • 755.37282

smiles

  • O1[C@H](OC2=C(OC)C(OC)=NC(=C2C)C/C=C(/C/C=C/C(=C/[C@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)/C(=C/CO)/C)C)/C)/C)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O

subset

  • 2_STAR

synonym EXACT

  • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[(2E,5E,7E,9R,10R,11E)-13-hydroxy-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methylpyridin-4-yl]oxyoxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212798

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