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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

  • C25H30O12

has_functional_parent

inchi

  • InChI=1S/C25H30O12/c1-13(18(35-15(3)26)14(2)11-16-7-5-4-6-8-16)9-10-24-17(27)12-23(37-24,21(30)31)25(34,22(32)33)19(36-24)20(28)29/h4-8,14,17-19,27,34H,1,9-12H2,2-3H3,(H,28,29)(H,30,31)(H,32,33)/t14-,17-,18-,19-,23+,24+,25-/m1/s1

inchikey

  • LXSZCAUKBBTSFP-NFQMRGDASA-N

mass

  • 522.503

monoisotopicmass

  • 522.17373

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](C2)O)C(=O)O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198614

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