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Chemistry, part 3

Content language

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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 > carbonyl compound > squalestatin h2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > squalestatin h2
... > 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 > carbonyl compound > squalestatin h2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > squalestatin h2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > squalestatin h2

Preferred term

squalestatin h2  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28O12

inchi

  • InChI=1S/C23H28O12/c1-11(14(24)12(2)10-13-6-4-3-5-7-13)8-9-21-15(25)16(26)23(35-21,20(31)32)22(33,19(29)30)17(34-21)18(27)28/h3-7,12,14-17,24-26,33H,1,8-10H2,2H3,(H,27,28)(H,29,30)(H,31,32)/t12-,14-,15-,16-,17-,21+,22-,23+/m1/s1

inchikey

  • OPFFSLQHSCNUPP-UAXGFBGFSA-N

mass

  • 496.465

monoisotopicmass

  • 496.15808

smiles

  • O=C(O)[C@@]1(O)[C@@]2(O[C@](CCC(=C)[C@@H](O)[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)-4,6,7-trihydroxy-1-[(4S,5R)-4-hydroxy-5-methyl-3-methylidene-6-phenylhexyl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214122

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