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Chemistry, part 2

Content language

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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 > organic hydroxy compound > phenols > 17-formyl-17-demethoxy18-o,21-o-dihydrogeldanamycin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 17-formyl-17-demethoxy18-o,21-o-dihydrogeldanamycin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > 17-formyl-17-demethoxy18-o,21-o-dihydrogeldanamycin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenols > 17-formyl-17-demethoxy18-o,21-o-dihydrogeldanamycin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > 17-formyl-17-demethoxy18-o,21-o-dihydrogeldanamycin

Preferred term

17-formyl-17-demethoxy18-o,21-o-dihydrogeldanamycin  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40N2O9

inchi

  • InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-15,17,23-25,27,33-35H,10-11H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8-,18-12-/t15-,17+,23+,24+,25-,27+/m1/s1

inchikey

  • OFASSFOXVUYUFT-GCJLKVIVSA-N

mass

  • 560.644

monoisotopicmass

  • 560.27338

smiles

  • O=C1NC2=C(O)C(=C(C=O)C(=C2)O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(4Z,6Z,8S,9S,10Z,12S,13R,14S,16R)-19-ormyl-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200257

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