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Concept information

Preferred term

nematoctone  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O5

inchi

  • InChI=1S/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,10-12,17-19,22-23H,1-3,6-8H2/t10-,11-,12+,17-,18-,19-,21-/m1/s1

inchikey

  • MBHXPROXDIPXFX-BYWFDOGKSA-N

mass

  • 354.402

monoisotopicmass

  • 354.14672

smiles

  • O=C1O[C@@H]2C3=C(O)C=CC(=C3[C@@H]4[C@@]56[C@@H]2[C@H]1CC[C@H]5[C@@H](C(=C)CO4)CC6)O

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,8S,15S,18R,21S,22S)-10,13-dihydroxy-5-methylidene-7,16-dioxahexacyclo[13.6.1.01,8.04,21.09,14.018,22]docosa-9,11,13-trien-17-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216058

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