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Chemistry, part 1

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Concept information

organooxygen compound > zaragozic acid f-10863a

Preferred term

zaragozic acid f-10863a  

Type

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

Broader concept

charge

  • 0

formula

  • C41H50O14

has_functional_parent

inchi

  • InChI=1S/C41H50O14/c1-27(17-15-23-30-21-12-8-13-22-30)31(52-28(2)42)24-16-26-39-33(44)34(41(55-39,38(49)50)40(51,37(47)48)35(54-39)36(45)46)53-32(43)25-14-6-4-3-5-9-18-29-19-10-7-11-20-29/h7-13,15,18-23,27,31,33-35,44,51H,3-6,14,16-17,24-26H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)/b18-9+,23-15+/t27?,31?,33-,34-,35-,39?,40-,41?/m1/s1

inchikey

  • DAIUNLCLMAJMGY-HJWTWWBJSA-N

mass

  • 766.837

monoisotopicmass

  • 766.32006

smiles

  • O=C(O)[C@@]1(O)C2(OC(CCCC(OC(=O)C)C(C/C=C/C3=CC=CC=C3)C)(O[C@@H]1C(=O)O)[C@@H]([C@H]2OC(=O)CCCCCC/C=C/C4=CC=CC=C4)O)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,6R,7R)-1-[(E)-4-acetyloxy-5-methyl-8-phenyloct-7-enyl]-4,7-dihydroxy-6-[(E)-9-phenylnon-8-enoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198214

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