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Chemistry, part 2

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Concept information

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

Preferred term

arenicolide a  

Type

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

Broader concept

charge

  • 0

formula

  • C45H72O12

inchi

  • InChI=1S/C45H72O12/c1-11-16-35(48)42(54-9)44-45(6,57-44)39(49)21-15-20-38-43(55-10)41(51)32(5)28-31(4)24-26-34(47)37(53-8)19-14-17-29(2)27-30(3)23-25-33(46)36(52-7)18-12-13-22-40(50)56-38/h12-13,15,18,20,22-29,32-39,41-44,46-49,51H,11,14,16-17,19,21H2,1-10H3/b18-12+,20-15+,22-13+,25-23+,26-24+,30-27+,31-28+/t29?,32-,33-,34-,35+,36-,37-,38+,39+,41+,42-,43+,44?,45?/m1/s1

inchikey

  • BKUKTJSDOUXYFL-METIAKLXSA-N

mass

  • 805.059

monoisotopicmass

  • 804.50238

smiles

  • O=C1O[C@@H](/C=C/C[C@H](O)C2(OC2[C@H](OC)[C@@H](O)CCC)C)[C@H](OC)[C@@H](O)[C@@H](C=C(C=C[C@@H](O)[C@H](OC)CCCC(C=C(C=C[C@H]([C@@H](C=CC=C1)OC)O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3E,5E,7R,8R,9E,11E,17R,18R,19E,21E,23R,24S,25R,26S)-8,18,24-trihydroxy-26-[(E,4S)-4-hydroxy-4-[3-[(1R,2S)-2-hydroxy-1-methoxypentyl]-2-methyloxiran-2-yl]but-1-enyl]-7,17,25-trimethoxy-11,13,21,23-tetramethyl-1-oxacyclohexacosa-3,5,9,11,19,21-hexaen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217527

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