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CHEBI:226143 - Irijimaside D

ChEBI IDCHEBI:226143
ChEBI NameIrijimaside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O10
Net Charge0
Average Mass594.742
Monoisotopic Mass594.34040
SMILESC=CCC/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](O)[C@H]3OC)[C@@H]2C)[C@H](C)C(=O)O1
InChIInChI=1S/C32H50O10/c1-8-9-10-11-12-13-14-23-15-19(2)16-24(37-6)17-25-20(3)26(18-32(36,42-25)21(4)30(35)40-23)41-31-29(38-7)28(34)27(33)22(5)39-31/h8,11-14,16,20-29,31,33-34,36H,1,9-10,15,17-18H2,2-7H3/b12-11+,14-13+,19-16+/t20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,31+,32+/m1/s1
InChIKeyFCHQSTVBYBLADP-DBETZOHISA-N
Species of MetaboliteComponentSourceComments
Okeania (ncbitaxon:1458928) - PubMed (32267694)
ChEBI Ontology
Outgoing Relation(s)
Irijimaside D (CHEBI:226143) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5S,7E,9S,11S,12S,13S)-13-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-1-hydroxy-9-methoxy-2,7,12-trimethyl-5-[(1E,3E)-octa-1,3,7-trienyl]-4,15-dioxabicyclo[9.3.1]pentadec-7-en-3-one