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Concept information

organooxygen compound > polyketide > macrolide > epothilone > epothilone d 3-alpha-d-arabinofuranoside
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone > epothilone d 3-alpha-d-arabinofuranoside
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > epothilone > epothilone d 3-alpha-d-arabinofuranoside
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone > epothilone d 3-alpha-d-arabinofuranoside
... > organooxygen compound > carbonyl compound > ketone > beta-hydroxy ketone > epothilone > epothilone d 3-alpha-d-arabinofuranoside

Preferred term

epothilone d 3-alpha-d-arabinofuranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C31H47NO9S

inchi

  • InChI=1S/C31H47NO9S/c1-17-11-9-7-8-10-12-22(18(2)13-21-16-42-20(4)32-21)39-25(34)14-24(31(5,6)29(38)19(3)26(17)35)41-30-28(37)27(36)23(15-33)40-30/h8,10,13,16-17,19,22-24,26-28,30,33,35-37H,7,9,11-12,14-15H2,1-6H3/b10-8-,18-13+/t17-,19+,22-,23+,24-,26-,27+,28?,30+/m0/s1

inchikey

  • RJLGVVVYCIMPMK-DAZWEYQJSA-N

mass

  • 609.780

monoisotopicmass

  • 609.29715

smiles

  • S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O[C@H]3O[C@H](CO)[C@H](C3O)O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCCC=CC2)C)C)(C)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,7R,8S,9S,13Z,16S)-4-[(2S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-8-hydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211906

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