CHEBI:198623 - Desertomycin B

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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 Desertomycin B
ChEBI ID CHEBI:198623
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H106O22
Net Charge 0
Average Mass 1191.497
Monoisotopic Mass 1190.71758
InChI InChI=1S/C61H106O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-59,61-78H,11-12,15,18-19,22-23,25-30H2,1-9H3
InChIKey ZQGMDHCZCLGAKC-UHFFFAOYSA-N
SMILES O=C1OC(C(C2OC(O)CC2)C)CC=CC(O)CC(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)C(OC3OC(C(O)C(C3O)O)CO)C=C(C(C(C=CC(C(C=CCCC(C(C(C(CCC=C1C)C)O)C)O)C)O)C)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Desertomycin B (CHEBI:198623) is a macrolide (CHEBI:25106)
IUPAC Name
8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-42-[1-(5-hydroxyoxolan-2-yl)ethyl]-3,7,9,15,19,21,31,33-octamethyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one