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Concept information

organooxygen compound > polyketide > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > 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,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > 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,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > (3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one

Preferred term

(3s,5e,7s,8s)-13-bromo-3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-1h-2-benzooxacyclotetradecin-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C19H23BrO7

inchi

  • InChI=1S/C19H23BrO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h3-4,6-7,9-10,12-13,18,21-24H,5,8H2,1-2H3/t10-,12-,13+,18+/m0/s1

inchikey

  • CXOUKSOPSSXCMZ-ZMYIOMMISA-N

mass

  • 443.290

monoisotopicmass

  • 442.06272

smiles

  • BrC1=C2C(C(=O)O[C@H](CC=C[C@@H]([C@H]([C@@H](CC=C2)O)O)O)C)=C(O)C=C1OC

subset

  • 2_STAR

synonym EXACT

  • (4S,8S,9S,10R)-15-bromo-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197808

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