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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 4-desmethyl-9-keto-epothilone d, diaster

Preferred term

4-desmethyl-9-keto-epothilone d, diaster  

Type

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

Broader concept

charge

  • 0

formula

  • C26H37NO6S

inchi

  • InChI=1S/C26H37NO6S/c1-14-7-9-21(28)16(3)25(31)18(5)26(32)17(4)22(29)12-24(30)33-23(10-8-14)15(2)11-20-13-34-19(6)27-20/h8,11,13,16-18,22-23,25,29,31H,7,9-10,12H2,1-6H3/b14-8-,15-11+/t16-,17?,18+,22-,23?,25-/m0/s1

inchikey

  • NSVRZISPMRJNOX-RIEHUXILSA-N

mass

  • 491.640

monoisotopicmass

  • 491.23416

smiles

  • S1C(=NC(=C1)/C=C(/C2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](C(CCC(=CC2)C)=O)C)C)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,7R,8S,9R,13Z)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6,10-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225135

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