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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 > pactamide a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > pactamide a

Preferred term

pactamide a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40N2O4

inchi

  • InChI=1S/C29H40N2O4/c1-3-17-14-19-15-22-20-6-4-8-25(33)30-13-5-7-23-28(34)27(29(35)31-23)24(32)12-10-18(20)9-11-21(22)26(19)16(17)2/h4,8,10,12,16-23,26,32H,3,5-7,9,11,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-10+,27-24?/t16-,17+,18-,19+,20-,21+,22+,23+,26+/m1/s1

inchikey

  • COQRMMDQXCDULZ-BZXIHHRZSA-N

mass

  • 480.649

monoisotopicmass

  • 480.29881

smiles

  • O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5[C@@H]([C@@H](CC)C[C@H]5C4)C)CC3

subset

  • 2_STAR

synonym EXACT

  • (3E,5R,8S,9R,10R,11S,13S,15S,16R,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-20,27,28-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219397

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