CHEBI:217197 - Strabetaeriolide B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Strabetaeriolide B
ChEBI ID CHEBI:217197
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H44O5
Net Charge 0
Average Mass 436.633
Monoisotopic Mass 436.31887
InChI InChI=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
InChIKey ANEDNJZHKTWNBP-GYTZXFDUSA-N
SMILES O=C1O[C@H]([C@H](C(=O)O)C)CC[C@@H](C[C@H](C=C(C)[C@@H](CC[C@H](C=C(C[C@@H]1C)C)C)O)C)C
Metabolite of Species Details
Strasseria (NCBI:txid1395781) See: PubMed
ChEBI Ontology
Outgoing 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