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Concept information

Preferred term

asperchalasin a  

Type

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

Broader concept

charge

  • 0

formula

  • C26H37NO5

inchi

  • InChI=1S/C26H37NO5/c1-15(23(29)18(4)28)10-9-13-20-24(32-5)17(3)16(2)22-21(27-25(30)26(20,22)31)14-19-11-7-6-8-12-19/h6-9,11-13,15,18,20-24,28-29,31H,10,14H2,1-5H3,(H,27,30)/b13-9+/t15-,18-,20-,21-,22-,23-,24+,26+/m0/s1

inchikey

  • LXRTXCAMHFXNMG-VMSFEXISSA-N

mass

  • 443.584

monoisotopicmass

  • 443.26717

smiles

  • O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@]1(O)[C@@H](/C=C/C[C@@H]([C@H](O)[C@@H](O)C)C)[C@H](OC)C(C)=C3C

subset

  • 2_STAR

synonym EXACT

  • (3S,3aS,6S,7S,7aS)-3-benzyl-7-[(E,4S,5S,6S)-5,6-dihydroxy-4-methylhept-1-enyl]-7a-hydroxy-6-methoxy-4,5-dimethyl-3,3a,6,7-tetrahydro-2H-isoindol-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210403

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