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Concept information

Preferred term

pyrenosetin d  

Type

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

Broader concept

charge

  • 0

formula

  • C25H35NO6

inchi

  • InChI=1S/C25H35NO6/c1-12-6-7-16-15(8-12)9-13(2)19-20-17(10-14(3)28)32-25(31)18(11-27)26(5)22(30)24(20,25)21(29)23(16,19)4/h9,12,15-20,27,31H,6-8,10-11H2,1-5H3/t12-,15+,16-,17-,18+,19+,20+,23+,24+,25+/m0/s1

inchikey

  • VGSLZTMSEGAQSR-AOIDCAQBSA-N

mass

  • 445.556

monoisotopicmass

  • 445.24644

smiles

  • O=C1N([C@H](CO)[C@@]2([C@]13C(=O)[C@@]4([C@@H]5[C@H](C[C@@H](C)CC5)C=C([C@@H]4[C@H]3[C@H](CC(=O)C)O2)C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,3S,5S,6R,9S,11R,12S,15S,17R)-5-hydroxy-6-(hydroxymethyl)-7,11,15,19-tetramethyl-3-(2-oxopropyl)-4-oxa-7-azapentacyclo[9.8.0.02,9.05,9.012,17]nonadec-18-ene-8,10-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210102

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