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CHEBI:208828 - N-acetylborrelidin B

ChEBI IDCHEBI:208828
ChEBI NameN-acetylborrelidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H49NO7
Net Charge0
Average Mass535.722
Monoisotopic Mass535.35090
SMILESCC(=O)NC/C1=C\C=C\C[C@@H]([C@@H]2CCC[C@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)[C@H]1O
InChIInChI=1S/C30H49NO7/c1-18-13-19(2)15-21(4)29(35)23(17-31-22(5)32)9-6-7-12-27(24-10-8-11-25(24)30(36)37)38-28(34)16-26(33)20(3)14-18/h6-7,9,18-21,24-27,29,33,35H,8,10-17H2,1-5H3,(H,31,32)(H,36,37)/b7-6+,23-9+/t18-,19+,20-,21-,24+,25+,26-,27-,29+/m0/s1
InChIKeyWQTIQBNENBKLFZ-PLLLQYMDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29055178)
ChEBI Ontology
Outgoing Relation(s)
N-acetylborrelidin B (CHEBI:208828) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-(acetamidomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid