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CHEBI:198726 - 11-methoxy-17-formyl-17-demethoxy-18-O-21-O-dihydrogeldanamycin

ChEBI IDCHEBI:198726
ChEBI Name11-methoxy-17-formyl-17-demethoxy-18-O-21-O-dihydrogeldanamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N2O9
Net Charge0
Average Mass574.671
Monoisotopic Mass574.28903
SMILESCO[C@H]1[C@@H](OC)C[C@@H](C)Cc2c(O)c(cc(O)c2C=O)NC(=O)/C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H]1C
InChIInChI=1S/C30H42N2O9/c1-16-11-20-21(15-33)23(34)14-22(26(20)35)32-29(36)17(2)9-8-10-24(38-5)28(41-30(31)37)19(4)13-18(3)27(40-7)25(12-16)39-6/h8-10,13-16,18,24-25,27-28,34-35H,11-12H2,1-7H3,(H2,31,37)(H,32,36)/b10-8-,17-9-,19-13-/t16-,18-,24-,25-,27+,28-/m0/s1
InChIKeyHQFCNCFMYXBIIK-ZKKBMTTCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20335971)
ChEBI Ontology
Outgoing Relation(s)
11-methoxy-17-formyl-17-demethoxy-18-O-21-O-dihydrogeldanamycin (CHEBI:198726) is a phenols (CHEBI:33853)
IUPAC Name 
[(4Z,6Z,8S,9S,10Z,12S,13R,14S,16S)-19-ormyl-20,22-dihydroxy-8,13,14-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
Manual XrefsDatabases
78440745ChemSpider