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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 > isoprenoid > terpenoid > monoterpenoid > (3e,5s,6r,8r,9r,10s,11s,12s,14r,16s,17e,19e)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > (3e,5s,6r,8r,9r,10s,11s,12s,14r,16s,17e,19e)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione

Preferred term

(3e,5s,6r,8r,9r,10s,11s,12s,14r,16s,17e,19e)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38N2O6

inchi

  • InChI=1S/C29H38N2O6/c1-3-16-13-18-14-17-7-4-5-9-22(34)30-12-6-8-19-26(35)25(29(36)31-19)20(32)10-11-21(33)27-28(37-27)24(17)23(18)15(16)2/h4-5,7,9-11,15-19,21,23-24,27-28,32-33H,3,6,8,12-14H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,9-5+,11-10+,25-20?/t15-,16-,17+,18+,19?,21-,23+,24+,27+,28+/m0/s1

inchikey

  • NLTDYCOHPJIAFP-SDLZGQCTSA-N

mass

  • 510.631

monoisotopicmass

  • 510.27299

smiles

  • O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]([C@@H]3[C@@H]([C@@H]4[C@H](C=CC=C1)C[C@H]5C[C@@H]([C@@H]([C@@H]45)C)CC)O3)O

subset

  • 2_STAR

synonym EXACT

  • (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222003

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