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Concept information

Preferred term

amiaspochalasin i  

Type

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

Broader concept

charge

  • 0

formula

  • C25H39NO6

inchi

  • InChI=1S/C25H39NO6/c1-14(2)11-19-23-17(5)16(4)13-18(25(23,31)24(30)26-19)12-15(3)7-8-20(27)21(28)9-10-22(29)32-6/h9-10,12-14,17-21,23,27-28,31H,7-8,11H2,1-6H3,(H,26,30)/t17-,18+,19+,20+,21+,23+,25-/m1/s1

inchikey

  • YUXUTEAAGHFKKH-OWYSCOIYSA-N

mass

  • 449.588

monoisotopicmass

  • 449.27774

smiles

  • O=C1N[C@@H](CC(C)C)[C@H]2[C@]1(O)[C@H](C=C(C)[C@H]2C)C=C(CC[C@H](O)[C@@H](O)C=CC(=O)OC)C

subset

  • 2_STAR

synonym EXACT

  • methyl (4S,5S)-9-[(1S,3aR,4S,7S,7aS)-3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226688

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