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CHEBI:212033 - AH-758

ChEBI IDCHEBI:212033
ChEBI NameAH-758
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SubmitterMetaboLights
DownloadsMolfile
FormulaC45H67NO13
Net Charge0
Average Mass830.025
Monoisotopic Mass829.46124
SMILESCO/C1=C\C(C)=C\C(C)C(O)C(C)C/C(C)=C/C=C/C(OC)C(C(C)C(O)C(C)C2(OC)CC(OC(=O)/C=C/C(=O)OCC3=CCC(=O)N3)C(C)C(C(C)C)O2)OC1=O
InChIInChI=1S/C45H67NO13/c1-25(2)42-30(7)36(57-39(49)19-18-38(48)56-24-33-16-17-37(47)46-33)23-45(55-12,59-42)32(9)41(51)31(8)43-34(53-10)15-13-14-26(3)20-28(5)40(50)29(6)21-27(4)22-35(54-11)44(52)58-43/h13-16,18-19,21-22,25,28-32,34,36,40-43,50-51H,17,20,23-24H2,1-12H3,(H,46,47)/b15-13+,19-18+,26-14+,27-21+,35-22-
InChIKeyDHGOLDVSUHASSH-HFZALEEASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8557562)
ChEBI Ontology
Outgoing Relation(s)
AH-758 (CHEBI:212033) is a macrolide (CHEBI:25106)
IUPAC Name 
4-O-[2-[3-hydroxy-4-[(4E,6E,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyl-6-propan-2-yloxan-4-yl] 1-O-[(2-oxo-1,3-dihydropyrrol-5-yl)methyl] (E)-but-2-enedioate
Manual XrefsDatabases
8638598ChemSpider