CHEBI:216118 - 18-deoxo-18-dihydro-angolamycin

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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 18-deoxo-18-dihydro-angolamycin
ChEBI ID CHEBI:216118
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C46H79NO16
Net Charge 0
Average Mass 902.129
Monoisotopic Mass 901.53989
InChI InChI=1S/C46H79NO16/c1-14-28-18-23(3)31(48)16-17-46(9)43(63-46)29(22-56-44-41(55-13)40(54-12)37(51)25(5)59-44)33(15-2)60-34(50)20-32(49)24(4)38(28)61-35-19-30(47(10)11)39(26(6)57-35)62-36-21-45(8,53)42(52)27(7)58-36/h16-17,23-30,32-33,35-44,49,51-53H,14-15,18-22H2,1-13H3
InChIKey NFTFJIRKJOGZIX-UHFFFAOYSA-N
SMILES O=C1C=CC2(OC2C(C(OC(=O)CC(C(C(C(CC1C)CC)OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3)N(C)C)C)C)O)CC)COC5OC(C(O)C(C5OC)OC)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 18-deoxo-18-dihydro-angolamycin (CHEBI:216118) is a aminoglycoside (CHEBI:47779)
IUPAC Name
9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,10-diethyl-7-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8,12,16-trimethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione