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Concept information

organooxygen compound > polyketide > macrolide > 7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin

Preferred term

7-o-methyl-5′-hydroxy-3′-heptenoate-macrolactin  

Type

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

Broader concept

charge

  • 0

formula

  • C31H44O7

inchi

  • InChI=1S/C31H44O7/c1-3-26(32)19-15-23-31(36)38-29-20-12-7-11-18-28(34)24-27(33)17-10-6-4-5-9-16-25(2)37-30(35)22-14-8-13-21-29/h4,6-8,10-15,17,19-20,22,25-29,32-34H,3,5,9,16,18,21,23-24H2,1-2H3/b6-4-,11-7-,13-8+,17-10+,19-15+,20-12?,22-14-/t25-,26+,27+,28+,29-/m1/s1

inchikey

  • RQEZKSDDHWVGHW-ANKYFMHJSA-N

mass

  • 528.686

monoisotopicmass

  • 528.30870

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(3Z,5E,8S,11Z,14S,16R,17E,19Z,24R)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl] (E,5S)-5-hydroxyhept-3-enoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223791

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