CHEBI:200257 - 17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin
ChEBI ID CHEBI:200257
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H40N2O9
Net Charge 0
Average Mass 560.644
Monoisotopic Mass 560.27338
InChI InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-15,17,23-25,27,33-35H,10-11H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8-,18-12-/t15-,17+,23+,24+,25-,27+/m1/s1
InChIKey OFASSFOXVUYUFT-GCJLKVIVSA-N
SMILES O=C1NC2=C(O)C(=C(C=O)C(=C2)O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
Metabolite of Species Details
Streptomyces hygroscopicus (NCBI:txid1912) See: PubMed
ChEBI Ontology
Outgoing 17-Formyl-17-demethoxy18-O,21-O-dihydrogeldanamycin (CHEBI:200257) is a phenols (CHEBI:33853)
IUPAC Name
[(4Z,6Z,8S,9S,10Z,12S,13R,14S,16R)-19-ormyl-13,20,22-trihydroxy-8,14-dimethoxy-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 Xref Database
78442504 ChemSpider
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