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CHEBI:198074 - Gageomacrolactin 2

ChEBI IDCHEBI:198074
ChEBI NameGageomacrolactin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O10
Net Charge0
Average Mass578.699
Monoisotopic Mass578.30910
SMILESCO[C@H]1C=C/C=C/CCC[C@@H](C)OC(=O)/C=C\C=C\C[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)/C=C/C=C\C[C@H](O)C1
InChIInChI=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
InChIKeyRQTSCDVSKIOZMR-NZBJPMFZSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (23488669)
ChEBI Ontology
Outgoing Relation(s)
Gageomacrolactin 2 (CHEBI:198074) is a macrolide (CHEBI:25106)
IUPAC Name 
(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