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CHEBI:226148 - Irijimaside E

ChEBI IDCHEBI:226148
ChEBI NameIrijimaside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O10
Net Charge0
Average Mass620.780
Monoisotopic Mass620.35605
SMILESC#CCCC/C=C/C=C/[C@@H]1C/C(C)=C/[C@@H](OC)C[C@@H]2O[C@@](O)(C[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]3OC)[C@@H]2C)[C@H](C)C(=O)O1
InChIInChI=1S/C34H52O10/c1-9-10-11-12-13-14-15-16-25-17-21(2)18-26(38-6)19-27-22(3)28(20-34(37,44-27)23(4)32(36)42-25)43-33-31(40-8)30(39-7)29(35)24(5)41-33/h1,13-16,18,22-31,33,35,37H,10-12,17,19-20H2,2-8H3/b14-13+,16-15+,21-18+/t22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,33+,34+/m1/s1
InChIKeyYQERPKLJJWCIGK-WOCFDKNGSA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (32267694)
ChEBI Ontology
Outgoing Relation(s)
Irijimaside E (CHEBI:226148) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5S,7E,9S,11S,12S,13S)-1-hydroxy-13-[(2R,3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-9-methoxy-2,7,12-trimethyl-5-[(1E,3E)-nona-1,3-dien-8-ynyl]-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-one