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Concept information

Preferred term

ibho#20  

Type

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

charge

  • 0

formula

  • C27H39NO8

has_functional_parent

  • CHEBI:79260
  • CHEBI:79278

inchi

  • InChI=1S/C27H39NO8/c1-18-24(36-26(33)21-17-28-22-13-9-8-12-20(21)22)16-23(30)27(35-18)34-14-10-6-4-2-3-5-7-11-19(29)15-25(31)32/h8-9,12-13,17-19,23-24,27-30H,2-7,10-11,14-16H2,1H3,(H,31,32)/t18-,19+,23+,24+,27+/m0/s1

inchikey

  • PQBBEOSMILPNLI-NKVODUSASA-N

mass

  • 505.60050

monoisotopicmass

  • 505.26757

smiles

  • C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12

subset

  • 3_STAR

synonym EXACT

  • (3R)-12-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxydodecanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79373

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