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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 > olefinic compound > enone > 15-hydroxygeldanamycin
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 15-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 > 15-hydroxygeldanamycin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 15-hydroxygeldanamycin

Preferred term

15-hydroxygeldanamycin  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40N2O10

inchi

  • InChI=1S/C29H40N2O10/c1-14-9-8-10-20(38-5)26(41-29(30)37)17(4)11-15(2)23(33)21(39-6)12-16(3)24(34)22-25(35)18(31-28(14)36)13-19(32)27(22)40-7/h8-11,13,15-16,20-21,23-24,26,33-34H,12H2,1-7H3,(H2,30,37)(H,31,36)/b10-8-,14-9-,17-11-/t15-,16-,20-,21-,23+,24+,26-/m0/s1

inchikey

  • UCBVCEVBUMICFC-SCCFEFTKSA-N

mass

  • 576.643

monoisotopicmass

  • 576.26830

smiles

  • O=C1NC=2C(=O)C(=C(OC)C(C2)=O)[C@H](O)[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,16S,17R)-13,17-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206701

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