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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > 19,21-dibromooscillatoxin a
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > 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 > 19,21-dibromooscillatoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > 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 > 19,21-dibromooscillatoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 19,21-dibromooscillatoxin a

Preferred term

19,21-dibromooscillatoxin a  

Type

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

Broader concept

charge

  • 0

formula

  • C31H44Br2O10

inchi

  • InChI=1S/C31H44Br2O10/c1-16(7-8-24(39-6)20-10-23(35)22(33)11-21(20)32)28-18(3)25-13-31(42-28)29(4,5)12-17(2)30(38,43-31)14-27(37)40-19(15-34)9-26(36)41-25/h10-11,16-19,24-25,28,34-35,38H,7-9,12-15H2,1-6H3/t16-,17+,18-,19+,24-,25-,28?,30-,31-/m0/s1

inchikey

  • DDGGYVOCCJLZJL-YJMWZKKWSA-N

mass

  • 736.491

monoisotopicmass

  • 734.13012

smiles

  • BrC1=C(O)C=C([C@@H](OC)CC[C@@H](C2O[C@@]34O[C@](O)([C@H](C)CC3(C)C)CC(=O)O[C@H](CC(O[C@H]([C@@H]2C)C4)=O)CO)C)C(=C1)Br

subset

  • 2_STAR

synonym EXACT

  • (1S,4S,5S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-(hydroxymethyl)-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203010

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