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Concept information

organooxygen compound > polyketide > macrolide > gageomacrolactin 2

Preferred term

gageomacrolactin 2  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O10

inchi

  • InChI=1S/C31H46O10/c1-22-14-8-4-3-5-10-18-25(38-2)20-23(33)15-9-6-11-16-24(17-12-7-13-19-27(34)39-22)40-31-30(37)29(36)28(35)26(21-32)41-31/h3,5-7,9-13,16,18-19,22-26,28-33,35-37H,4,8,14-15,17,20-21H2,1-2H3/b5-3+,9-6-,12-7+,16-11+,18-10?,19-13-/t22-,23+,24-,25+,26+,28+,29-,30+,31+/m1/s1

inchikey

  • RQTSCDVSKIOZMR-NZBJPMFZSA-N

mass

  • 578.699

monoisotopicmass

  • 578.30910

smiles

  • O=C1O[C@@H](CCCC=CC=C[C@H](OC)C[C@@H](O)CC=CC=C[C@H](CC=CC=C1)O[C@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)C

subset

  • 2_STAR

synonym EXACT

  • (3Z,5E,8S,9E,11Z,14S,16R,19E,24R)-14-hydroxy-16-methoxy-24-methyl-8-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198074

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