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CHEBI:212633 - Torrubiellutin A

ChEBI IDCHEBI:212633
ChEBI NameTorrubiellutin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO5
Net Charge0
Average Mass443.584
Monoisotopic Mass443.26717
SMILESC/C1=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)/C=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C26H37NO5/c1-16-12-13-23(28)27(6)22(15-21-10-8-7-9-11-21)26(31)32-20(5)19(4)25(30)18(3)14-17(2)24(16)29/h7-14,16,18-20,22,24-25,29-30H,15H2,1-6H3/b13-12-,17-14-/t16-,18+,19+,20+,22+,24+,25-/m1/s1
InChIKeySQRHAWJNRYYSGK-AVTCJIJOSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) - DOI (10.1016/j.tet.2009.05.070)
ChEBI Ontology
Outgoing Relation(s)
Torrubiellutin A (CHEBI:212633) is a lactam (CHEBI:24995)
Torrubiellutin A (CHEBI:212633) is a macrolide (CHEBI:25106)
IUPAC Name 
(3S,6E,8R,9S,10Z,12S,13R,14R,15S)-3-benzyl-9,13-dihydroxy-4,8,10,12,14,15-hexamethyl-1-oxa-4-azacyclopentadeca-6,10-diene-2,5-dione