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Concept information

Preferred term

icas#1 (1)  

Type

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

alt_id

  • CHEBI:166981

charge

  • -1

formula

  • C22H28NO7

has_functional_parent

inchi

  • InChI=1S/C22H29NO7/c1-13(7-3-6-10-20(25)26)28-22-18(24)11-19(14(2)29-22)30-21(27)16-12-23-17-9-5-4-8-15(16)17/h4-5,8-9,12-14,18-19,22-24H,3,6-7,10-11H2,1-2H3,(H,25,26)/p-1/t13-,14+,18-,19-,22-/m1/s1

inchikey

  • YRHZEQFAUQVVIS-FAVIALCLSA-M

is_conjugate_base_of

mass

  • 418.467

monoisotopicmass

  • 418.18713

smiles

  • C[C@H](CCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2

subset

  • 3_STAR

synonym EXACT

  • (6R)-6-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}heptanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140800

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