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Concept information

organooxygen compound > polyketide > macrolide > 9-keto-10,11-didehydroepothilone d
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 9-keto-10,11-didehydroepothilone d
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 9-keto-10,11-didehydroepothilone d
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 9-keto-10,11-didehydroepothilone d

Preferred term

9-keto-10,11-didehydroepothilone d  

Type

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

Broader concept

charge

  • 0

formula

  • C27H37NO6S

inchi

  • InChI=1S/C27H37NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h8-10,12,14,17-18,22-23,25,30,32H,11,13H2,1-7H3/b10-8-,15-9-,16-12+/t17-,18+,22?,23-,25-/m0/s1

inchikey

  • VARJYEHLJSMYQM-UQELFXPRSA-N

mass

  • 503.650

monoisotopicmass

  • 503.23416

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (4S,7R,8S,9R,11Z,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6,10-trione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201334

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