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Concept information

Preferred term

sclerotionigrin a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H37NO3

inchi

  • InChI=1S/C29H37NO3/c1-20-12-7-4-5-10-17-26(31)33-29-24(16-11-13-20)18-21(2)22(3)27(29)25(30-28(29)32)19-23-14-8-6-9-15-23/h6,8-11,14-18,20,22,24-25,27H,4-5,7,12-13,19H2,1-3H3,(H,30,32)/b16-11+,17-10+/t20-,22-,24+,25+,27-,29-/m0/s1

inchikey

  • IDNSJJJVLRLOMH-SOAUQYFUSA-N

mass

  • 447.619

monoisotopicmass

  • 447.27734

smiles

  • O=C1O[C@]23C(=O)N[C@@H]([C@@H]2[C@@H](C)C(=C[C@H]3C=CC[C@@H](C)CCCCC=C1)C)CC4=CC=CC=C4

subset

  • 2_STAR

synonym EXACT

  • (1S,4E,10S,12E,14R,17R,18S,19R)-19-benzyl-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217738

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