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Concept information

Preferred term

leupyrrin a2  

Type

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

Broader concept

charge

  • 0

formula

  • C41H56N2O10

inchi

  • InChI=1S/C41H56N2O10/c1-23(2)16-27-18-35(45)52-37-36(53-40(47)41(37,7)22-44)26(6)11-12-28-13-14-31(42-28)38-43-32(34(51-38)21-50-39(27)46)19-29-30(25(5)10-9-15-48-8)20-49-33(29)17-24(3)4/h9-11,13-14,19,23-24,27,32-34,36-37,42,44H,12,15-18,20-22H2,1-8H3/b10-9+,26-11+,29-19-,30-25+/t27-,32?,33?,34?,36?,37?,41?/m0/s1

inchikey

  • KQPSDFXMOKFSTQ-PFJQJRARSA-N

mass

  • 736.903

monoisotopicmass

  • 736.39350

smiles

  • O=C1OCC2OC(C=3NC(CC=C(C4C(OC(C[C@@H]1CC(C)C)=O)C(C(=O)O4)(CO)C)C)=CC3)=NC2/C=C/5/C(=C(/C=C/COC)/C)/COC5CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (7E,17S)-12-(hydroxymethyl)-22-[(Z)-[(4Z)-4-[(E)-5-methoxypent-3-en-2-ylidene]-2-(2-methylpropyl)oxolan-3-ylidene]methyl]-8,12-dimethyl-17-(2-methylpropyl)-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09,13]pentacosa-1(23),2,4,7-tetraene-11,15,18-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201122

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