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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > 17-bromooscillatoxin b2
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > 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 > 17-bromooscillatoxin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > 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 > 17-bromooscillatoxin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 17-bromooscillatoxin b2

Preferred term

17-bromooscillatoxin b2  

Type

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

Broader concept

charge

  • 0

formula

  • C32H45BrO10

inchi

  • InChI=1S/C32H45BrO10/c1-17(8-11-23(39-7)21-12-20(35)9-10-22(21)33)29-18(2)25-15-32(43-29)30(4,5)16-31(6,38)26(42-32)14-28(37)40-24(19(3)34)13-27(36)41-25/h9-10,12,14,17-19,23-25,29,34-35,38H,8,11,13,15-16H2,1-7H3/b26-14+/t17-,18-,19+,23-,24+,25-,29+,31-,32+/m0/s1

inchikey

  • YDMZOYPZIGUJJL-MLNBSDNUSA-N

mass

  • 669.606

monoisotopicmass

  • 668.21961

smiles

  • BrC1=C(C=C(O)C=C1)[C@@H](OC)CC[C@@H]([C@H]2O[C@]34OC(=CC(=O)O[C@H](CC(O[C@H]([C@@H]2C)C3)=O)[C@H](O)C)[C@](O)(C)CC4(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,4S,5S,9R,12Z,14S)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-14-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadec-12-ene-7,11-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226640

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