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Concept information

Preferred term

آسکوتریسین B  

Type

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

Broader concept

charge

  • 0

formula

  • C29H38O11

inchi

  • InChI=1S/C29H38O11/c1-3-5-7-9-16-11-18(30)14-20(12-16)38-28(37)22-17(10-8-6-4-2)13-19(31)15-21(22)39-29-25(34)23(32)24(33)26(40-29)27(35)36/h11-15,23-26,29-34H,3-10H2,1-2H3,(H,35,36)/t23-,24+,25+,26-,29+/m0/s1

inchikey

  • CDVSTZXXDMGJKX-MQYJMQNVSA-N

mass

  • 562.612

monoisotopicmass

  • 562.24141

smiles

  • O=C(OC1=CC(O)=CC(=C1)CCCCC)C2=C(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]([C@H]3O)O)C=C(O)C=C2CCCCC

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxy)carbonyl-3-pentylphenoxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216115

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