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CHEBI:217197 - Strabetaeriolide B

ChEBI IDCHEBI:217197
ChEBI NameStrabetaeriolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H44O5
Net Charge0
Average Mass436.633
Monoisotopic Mass436.31887
SMILESC/C1=C\[C@H](C)CC[C@@H](O)/C(C)=C/[C@H](C)C[C@@H](C)CC[C@@H]([C@@H](C)C(=O)O)OC(=O)[C@@H](C)C1
InChIInChI=1S/C26H44O5/c1-16-8-10-23(27)20(5)14-18(3)13-17(2)9-11-24(22(7)25(28)29)31-26(30)21(6)15-19(4)12-16/h12,14,16-18,21-24,27H,8-11,13,15H2,1-7H3,(H,28,29)/b19-12+,20-14+/t16-,17+,18-,21+,22-,23-,24+/m1/s1
InChIKeyANEDNJZHKTWNBP-GYTZXFDUSA-N
Species of MetaboliteComponentSourceComments
Strasseria (ncbitaxon:1395781) - PubMed (32808790)
ChEBI Ontology
Outgoing Relation(s)
Strabetaeriolide B (CHEBI:217197) is a macrolide (CHEBI:25106)
IUPAC Name 
(2R)-2-[(2S,5S,7R,8E,10R,13R,14E,17S)-10-hydroxy-5,7,9,13,15,17-hexamethyl-18-oxo-1-oxacyclooctadeca-8,14-dien-2-yl]propanoic acid