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

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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 4,5-dihydro-7-O-descarbamoyl-7-hydroxygeldanamycin
ChEBI ID CHEBI:202303
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H41NO8
Net Charge 0
Average Mass 519.635
Monoisotopic Mass 519.28322
InChI InChI=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
InChIKey STJZXLRSQNVEGC-XWNKJCCHSA-N
SMILES O=C1NC=2C(=O)C(=C(OC)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](CCC=C1C)OC)O)C)C)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
21430199 ChemSpider
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