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Chemistry, part 1

Content language

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Concept information

organooxygen compound > grahamine c, (rel)-

Preferred term

grahamine c, (rel)-  

Type

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

Broader concept

charge

  • 0

formula

  • C35H46N2O9

has_functional_parent

has_role

inchi

  • InChI=1S/C35H46N2O9/c1-6-18(2)31(39)45-27-15-21-13-23(17-25(27)37(21)5)44-32(40)29-28(19-10-8-7-9-11-19)30(35(29,3)34(42)43)33(41)46-26-14-20-12-22(38)16-24(26)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,42,43)/b18-6-/t20-,21-,22+,23-,24+,25+,26+,27+,28?,29?,30?,35?/m0/s1

inchikey

  • GASKASBXVJUTPJ-DJJAPDROSA-N

mass

  • 638.74770

monoisotopicmass

  • 638.32033

smiles

  • [H][C@]12C[C@@H](O)C[C@]([H])([C@@H](C1)OC(=O)C1C(C(C(=O)O[C@H]3C[C@@]4([H])C[C@@H](OC(=O)C(/C)=C/C)[C@@]([H])(C3)N4C)C1(C)C(O)=O)c1ccccc1)N2C

subset

  • 2_STAR

synonym RELATED

  • rel-1-methyl-2-{[(3alpha-hydroxytropo-6beta-yl)oxy]carbonyl}-4-{[((6beta-angeloyloxy)-3alpha-yl)oxy]carbonyl}-3-phenylcyclobutanecarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68892

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