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Concept information

Preferred term

گومفرنین I  

Type

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

charge

  • 0

formula

  • C24H26N2O13

inchi

  • InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-7-13-10(6-15(16)28)5-14(23(36)37)26(13)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14-,17+,18+,19-,20+,24+/m0/s1

inchikey

  • YUDKHXMQDKVDGU-FMOSSLLZSA-N

mass

  • 550.470

monoisotopicmass

  • 550.14349

smiles

  • OC[C@H]1O[C@@H](Oc2cc3c(C[C@@H](C([O-])=O)/[N+]3=C/C=C3C[C@H](NC(=C/3)C(O)=O)C(O)=O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

synonym EXACT

  • Gomphrenin-I

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:5518

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