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Chemistry, part 1

Content language

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Concept information

organooxygen compound > squalestatin u1

Preferred term

squalestatin u1  

Type

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

Broader concept

charge

  • 0

formula

  • C35H48O15

has_functional_parent

inchi

  • InChI=1S/C35H48O15/c1-7-18(2)15-20(4)24(37)17-25(38)48-28-27(39)33(49-29(30(40)41)34(46,31(42)43)35(28,50-33)32(44)45)14-13-19(3)26(47-22(6)36)21(5)16-23-11-9-8-10-12-23/h8-12,18,20-21,24,26-29,37,39,46H,3,7,13-17H2,1-2,4-6H3,(H,40,41)(H,42,43)(H,44,45)/t18?,20?,21-,24?,26-,27-,28-,29-,33+,34-,35+/m1/s1

inchikey

  • JYRMLCBMOCHFFR-ZZZXDPEISA-N

mass

  • 708.754

monoisotopicmass

  • 708.29932

smiles

  • O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](OC(=O)C)[C@@H](CC3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CC(O)C(CC(CC)C)C)O)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-(3-hydroxy-4,6-dimethyloctanoyl)oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215789

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