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Concept information

Preferred term

icos #3  

Type

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

charge

  • 0

formula

  • C24H31NO7

inchi

  • InChI=1S/C24H31NO7/c1-16-21(32-23(29)18-15-25-19-11-8-7-10-17(18)19)14-20(26)24(31-16)30-13-9-5-3-2-4-6-12-22(27)28/h6-8,10-12,15-16,20-21,24-26H,2-5,9,13-14H2,1H3,(H,27,28)/b12-6+/t16-,20+,21+,24+/m0/s1

inchikey

  • XQKLJTSTLMVZHF-HCCOWPQCSA-N

mass

  • 445.50540

monoisotopicmass

  • 445.21005

smiles

  • C[C@@H]1O[C@@H](OCCCCCC/C=C/C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12

subset

  • 3_STAR

synonym EXACT

  • (2E)-9-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}non-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79114

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