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CHEBI:201799 - Tetromycin A

ChEBI IDCHEBI:201799
ChEBI NameTetromycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48O6
Net Charge0
Average Mass576.774
Monoisotopic Mass576.34509
SMILESCC(=O)OC1CCC(C)C2C1C=C(C)C1C(C)=CCCC(C)=CC3(C)C=C(C)C(C)CC34OC(=O)C(=C(O)C12C)C4=O
InChIInChI=1S/C36H48O6/c1-19-11-10-12-20(2)29-22(4)15-26-27(41-25(7)37)14-13-21(3)30(26)35(29,9)31(38)28-32(39)36(42-33(28)40)18-24(6)23(5)17-34(36,8)16-19/h12,15-17,21,24,26-27,29-30,38H,10-11,13-14,18H2,1-9H3
InChIKeyMQEFCZZPPWNMPU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tetromycin A (CHEBI:201799) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(1S,3R,6R,7Z,11Z,13R,16S,17S,20S,21R,22S,23Z)-23-hydroxy-3,4,6,8,12,14,20,22-octamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-17-yl] acetate