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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enone > 4,5-dihydro-7-o-descarbamoyl-7-hydroxygeldanamycin
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 4,5-dihydro-7-o-descarbamoyl-7-hydroxygeldanamycin
... > 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 > ketone > alpha,beta-unsaturated ketone > enone > 4,5-dihydro-7-o-descarbamoyl-7-hydroxygeldanamycin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 4,5-dihydro-7-o-descarbamoyl-7-hydroxygeldanamycin

Preferred term

4,5-dihydro-7-o-descarbamoyl-7-hydroxygeldanamycin  

Type

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

Broader concept

charge

  • 0

formula

  • C28H41NO8

inchi

  • InChI=1S/C28H41NO8/c1-15-11-19-26(33)20(14-21(30)27(19)37-7)29-28(34)16(2)9-8-10-22(35-5)24(31)17(3)13-18(4)25(32)23(12-15)36-6/h9,13-15,18,22-25,31-32H,8,10-12H2,1-7H3,(H,29,34)/b16-9+,17-13+/t15-,18+,22+,23+,24+,25-/m1/s1

inchikey

  • STJZXLRSQNVEGC-XWNKJCCHSA-N

mass

  • 519.635

monoisotopicmass

  • 519.28322

smiles

  • O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](CCC=C1C)OC)O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (4E,8S,9S,10E,12S,13R,14S,16R)-9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraene-3,20,22-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202303

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