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Chemistry, part 1

Content language

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Concept information

organooxygen compound > zaragozic acid e

Preferred term

zaragozic acid e  

Type

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

Broader concept

charge

  • 0

formula

  • C40H50O12

has_functional_parent

inchi

  • InChI=1S/C40H50O12/c1-27(17-13-23-29-19-5-3-6-20-29)15-9-10-25-31(41)50-33-32(42)38(26-12-11-16-28(2)18-14-24-30-21-7-4-8-22-30)51-34(35(43)44)39(49,36(45)46)40(33,52-38)37(47)48/h3-9,11,15-16,19-22,27-28,32-34,42,49H,10,12-14,17-18,23-26H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)/b15-9+,16-11+/t27?,28?,32-,33-,34?,38?,39?,40?/m1/s1

inchikey

  • HPNWHOBVFZEFCZ-RMZZEEJUSA-N

mass

  • 722.828

monoisotopicmass

  • 722.33023

smiles

  • O=C(O)C1(O)C2(OC(CC/C=C/C(CCCC3=CC=CC=C3)C)(OC1C(=O)O)[C@@H]([C@H]2OC(=O)CC/C=C/C(CCCC4=CC=CC=C4)C)O)C(=O)O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214146

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