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Chemistry, part 2

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organooxygen compound > polyketide > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > 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 > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > 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 > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > (e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid

Preferred term

(e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C23H31ClO9

inchi

  • InChI=1S/C23H31ClO9/c1-13(9-21(28)29)8-18(27)23-20-10-17(32-23)7-6-16(24)5-3-4-15(12-25)19(31-14(2)26)11-22(30)33-20/h4-5,8,17-20,23,25,27H,3,6-7,9-12H2,1-2H3,(H,28,29)/b13-8+,15-4-,16-5+/t17-,18-,19-,20-,23-/m1/s1

inchikey

  • KQAVQMQEPIWDEG-DDLODHIKSA-N

mass

  • 486.940

monoisotopicmass

  • 486.16566

smiles

  • ClC1=CCC=C([C@H](OC(=O)C)CC(=O)O[C@@H]2C[C@@H](CC1)O[C@@H]2[C@H](O)/C=C(/CC(=O)O)/C)CO

subset

  • 2_STAR

synonym EXACT

  • (E,5R)-5-[(1R,5R,6Z,9E,13R,15R)-5-acetyloxy-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219245

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