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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > (2s,3r,4r,5r,6r)-2-methyl-6-[[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(e)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > (2s,3r,4r,5r,6r)-2-methyl-6-[[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(e)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

Preferred term

(2s,3r,4r,5r,6r)-2-methyl-6-[[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(e)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C22H40O11

inchi

  • InChI=1S/C22H40O11/c1-11(6-5-8-22(3,4)29)7-9-30-20-19(28)17(26)15(24)13(33-20)10-31-21-18(27)16(25)14(23)12(2)32-21/h6,12-21,23-29H,5,7-10H2,1-4H3/b11-6+/t12-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1

inchikey

  • VUGMGEQWBOCMAV-QLEKUEJFSA-N

mass

  • 480.551

monoisotopicmass

  • 480.25706

smiles

  • O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCC/C(=C/CCC(O)(C)C)/C)CO[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182367

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