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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > 3-methoxyaplysiatoxin
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > 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 > 3-methoxyaplysiatoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > 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 > 3-methoxyaplysiatoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 3-methoxyaplysiatoxin

Preferred term

3-methoxyaplysiatoxin  

Type

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

Broader concept

charge

  • 0

formula

  • C33H49BrO10

inchi

  • InChI=1S/C33H49BrO10/c1-18(9-12-25(39-7)23-13-22(36)10-11-24(23)34)30-20(3)27-16-33(43-30)31(5,6)15-19(2)32(40-8,44-33)17-29(38)41-26(21(4)35)14-28(37)42-27/h10-11,13,18-21,25-27,30,35-36H,9,12,14-17H2,1-8H3/t18-,19+,20-,21+,25-,26+,27-,30+,32-,33-/m0/s1

inchikey

  • UXOISVYMJRJIJA-OBDIUVDCSA-N

mass

  • 685.649

monoisotopicmass

  • 684.25091

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (1S,3R,4S,5S,9R,13S,14R)-3-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-9-[(1R)-1-hydroxyethyl]-13-methoxy-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:227014

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