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Chemistry, part 1

Content language

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Concept information

organooxygen compound > squalestatin-h1

Preferred term

squalestatin-h1  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30O13

has_functional_parent

inchi

  • InChI=1S/C25H30O13/c1-12(16(36-14(3)26)13(2)11-15-7-5-4-6-8-15)9-10-23-17(27)18(28)25(38-23,22(33)34)24(35,21(31)32)19(37-23)20(29)30/h4-8,13,16-19,27-28,35H,1,9-11H2,2-3H3,(H,29,30)(H,31,32)(H,33,34)/t13-,16-,17-,18-,19-,23+,24-,25+/m1/s1

inchikey

  • RUIMBWGGEYKRPS-UBAHACBWSA-N

mass

  • 538.502

monoisotopicmass

  • 538.16864

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]2O)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]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212478

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