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Chemistry, part 3

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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 > oligosaccharide > [(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > oligosaccharide > [(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > oligosaccharide > [(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > [(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > [(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide > [(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate

Preferred term

[(2r,3s,4r,6s)-6-[[6-[(2s,4r,5r,6r)-4-[(2s,4r,5r,6r)-4-[(2s,4s,5s,6s)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6h-anthracen-2-yl]oxy]-4-[(2s,4r,5r,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C56H80O26

inchi

  • InChI=1S/C56H80O26/c1-20-33(78-39-18-36(52(25(6)74-39)76-27(8)58)81-37-15-32(60)46(63)22(3)71-37)14-30-12-29-13-31(53(70-11)51(68)45(62)21(2)57)54(50(67)43(29)49(66)42(30)44(20)61)82-40-17-34(47(64)24(5)73-40)79-38-16-35(48(65)23(4)72-38)80-41-19-56(10,69)55(26(7)75-41)77-28(9)59/h12,14,21-26,31-32,34-41,45-48,52-55,57,60-66,69H,13,15-19H2,1-11H3/t21?,22-,23-,24-,25-,26+,31?,32-,34-,35-,36-,37+,38+,39+,40+,41+,45?,46+,47-,48-,52+,53?,54?,55+,56+/m1/s1

inchikey

  • LKAAYCHLHTYRFV-AHJXQFJPSA-N

mass

  • 1169.230

monoisotopicmass

  • 1168.49378

smiles

  • O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@@H]5O[C@@H]([C@H](O)[C@@H](C5)O)C)C)C=C3C=C2CC(C1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](OC(=O)C)[C@](C8)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4R,6S)-6-[[6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213074

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