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Concept information

Preferred term

phomopsisin a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32N2O5

inchi

  • InChI=1S/C22H32N2O5/c1-11(2)9-16-17-12(3)18-19(28-18)15-8-7-14(25)6-4-5-13-10-21(27,29-24-13)22(15,17)20(26)23-16/h7-8,11-12,14-19,25,27H,4-6,9-10H2,1-3H3,(H,23,26)/b8-7+/t12-,14-,15-,16-,17-,18+,19-,21+,22+/m0/s1

inchikey

  • ZSUPQRHGMXKIMY-UOBSBNAFSA-N

mass

  • 404.507

monoisotopicmass

  • 404.23112

smiles

  • O=C1N[C@@H](CC(C)C)[C@H]2[C@@]13[C@@]4(ON=C(C4)CCC[C@@H](C=C[C@H]3[C@@H]5O[C@@H]5[C@H]2C)O)O

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,5S,6R,7S,8R,10S,11R,12E,14S)-1,14-dihydroxy-7-methyl-5-(2-methylpropyl)-9,20-dioxa-4,19-diazapentacyclo[16.2.1.02,6.02,11.08,10]henicosa-12,18-dien-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216966

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