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CHEBI:204520 - Tetromycin 1

ChEBI IDCHEBI:204520
ChEBI NameTetromycin 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H65NO13
Net Charge0
Average Mass888.064
Monoisotopic Mass887.44559
SMILESCOc1cc(C)c(C(=O)NC2C(C)OC(OC3CC(C)=CC4C3CC(C)C3/C(C)=C\CC/C(C)=C\C5(C)C=C(C(=O)O)C(C)CC56OC(=O)C(=C(O)C43C)C6=O)C(O)C2(C)O)c(O)c1
InChIInChI=1S/C50H65NO13/c1-23-13-12-14-25(3)38-27(5)18-31-33(48(38,9)40(53)37-41(54)50(64-45(37)59)21-28(6)32(44(57)58)22-47(50,8)20-23)15-24(2)16-35(31)63-46-42(55)49(10,60)39(29(7)62-46)51-43(56)36-26(4)17-30(61-11)19-34(36)52/h14-15,17,19-20,22,27-29,31,33,35,38-39,42,46,52-53,55,60H,12-13,16,18,21H2,1-11H3,(H,51,56)(H,57,58)/b23-20-,25-14-,40-37?
InChIKeyYSGSQPQFVSCEHO-WKNPQVLBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22072992)
ChEBI Ontology
Outgoing Relation(s)
Tetromycin 1 (CHEBI:204520) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(7Z,11Z)-17-[3,4-dihydroxy-5-[(2-hydroxy-4-methoxy-6-methylbenzoyl)amino]-4,6-dimethyloxan-2-yl]oxy-23-hydroxy-3,6,8,12,14,19,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,19,23-pentaene-4-carboxylic acid