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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > 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 > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > 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 > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > (3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione

Preferred term

(3s,4s,7r,9r,12s,13s,16r,18r)-3,9,12-trimethyl-18-ethyl-4,7:13,16-diepoxy-1,10-dioxacyclooctadecane-2,11-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O6

inchi

  • InChI=1S/C21H34O6/c1-5-15-11-17-7-9-18(26-17)13(3)20(22)24-12(2)10-16-6-8-19(25-16)14(4)21(23)27-15/h12-19H,5-11H2,1-4H3/t12-,13+,14+,15-,16-,17-,18+,19+/m1/s1

inchikey

  • VLXJANUFVJNWKB-IDBRTZOQSA-N

mass

  • 382.497

monoisotopicmass

  • 382.23554

smiles

  • O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H]1C)CC3)C)C)CC2)CC

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,5R,7R,10S,11S,14R,16R)-5-ethyl-2,11,14-trimethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198225

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