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Concept information

Preferred term

diaporthichalasin g  

Type

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

Broader concept

charge

  • 0

formula

  • C28H37NO4

inchi

  • InChI=1S/C28H37NO4/c1-17-5-4-6-22-15-21(16-30)19(3)26-24(14-20-8-10-23(31)11-9-20)29-27(33)28(22,26)25(32)12-7-18(2)13-17/h4,6-12,15,17-19,22,24-26,30-32H,5,13-14,16H2,1-3H3,(H,29,33)/b6-4+,12-7+/t17-,18+,19+,22-,24-,25+,26-,28+/m0/s1

inchikey

  • SWZWFYJCZKXSQT-IBMIJBHQSA-N

mass

  • 451.607

monoisotopicmass

  • 451.27226

smiles

  • O=C1N[C@@H](CC2=CC=C(O)C=C2)[C@H]3[C@@]14[C@H](O)C=C[C@H](C[C@H](CC=C[C@H]4C=C(CO)[C@H]3C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,3E,5S,7S,9E,11S,14S,15R,16S)-2-hydroxy-13-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-5,7,14-trimethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-18-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213972

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