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CHEBI:202303 - 4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin

ChEBI IDCHEBI:202303
ChEBI Name4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO8
Net Charge0
Average Mass519.635
Monoisotopic Mass519.28322
SMILESCOC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](OC)CC/C=C(\C)C(=O)NC(=CC1=O)C2=O
InChIInChI=1S/C28H41NO8/c1-15-11-19-26(33)20(14-21(30)27(19)37-7)29-28(34)16(2)9-8-10-22(35-5)24(31)17(3)13-18(4)25(32)23(12-15)36-6/h9,13-15,18,22-25,31-32H,8,10-12H2,1-7H3,(H,29,34)/b16-9+,17-13+/t15-,18+,22+,23+,24+,25-/m1/s1
InChIKeySTJZXLRSQNVEGC-XWNKJCCHSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin (CHEBI:202303) is a enol ether (CHEBI:47985)
4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin (CHEBI:202303) is a enone (CHEBI:51689)
IUPAC Name 
(4E,8S,9S,10E,12S,13R,14S,16R)-9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraene-3,20,22-trione
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