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Chemistry, part 1

Content language

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Concept information

organooxygen compound > squalestatin s5

Preferred term

squalestatin s5  

Type

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

Broader concept

charge

  • 0

formula

  • C33H44O12

has_functional_parent

inchi

  • InChI=1S/C33H44O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-13,17,19-20,22,25-27,35,42H,6,14-16,18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/b13-12+,21-17+/t19-,20+,22?,25+,26+,27+,31-,32+,33-/m0/s1

inchikey

  • BVWWWQRIGQHVCP-CCUIIQSBSA-N

mass

  • 632.703

monoisotopicmass

  • 632.28328

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4S,5R,6R,7R)-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-1-[(E)-3,5-dimethyl-6-phenylhex-3-enyl]-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:208492

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