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CHEBI:207817 - Desertomycin G

ChEBI IDCHEBI:207817
ChEBI NameDesertomycin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H109NO21
Net Charge0
Average Mass1204.540
Monoisotopic Mass1203.74921
SMILESCC1=CC=CC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCN)OC1=O
InChIInChI=1S/C62H109NO21/c1-32-16-11-12-20-47(70)38(7)55(75)33(2)17-13-18-35(4)61(81)82-51(37(6)46(69)21-15-25-63)22-14-19-42(65)27-43(66)28-48(71)39(8)56(76)40(9)49(72)29-44(67)30-50(73)41(10)57(77)52(26-36(5)54(74)34(3)23-24-45(32)68)83-62-60(80)59(79)58(78)53(31-64)84-62/h11,13-14,16-19,23-24,26,32-34,37-60,62,64-80H,12,15,20-22,25,27-31,63H2,1-10H3/t32?,33?,34?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54?,55?,56?,57?,58-,59+,60+,62+/m1/s1
InChIKeyMCROUBPJZPOSSF-KNZUXZTQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30759848)
ChEBI Ontology
Outgoing Relation(s)
Desertomycin G (CHEBI:207817) is a macrolide (CHEBI:25106)
IUPAC Name 
42-(6-amino-3-hydroxyhexan-2-yl)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,25,31,33-nonamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,5,13,17,21,39-hexaen-2-one