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CHEBI:200619 - Ammocidin C

ChEBI IDCHEBI:200619
ChEBI NameAmmocidin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H86O17
Net Charge0
Average Mass995.254
Monoisotopic Mass994.58650
SMILESCOCCCC1OC(O)(C(C)C2CC(C)C/C=C(C)/C=C(\C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)/C=C(C)/C=C(OC)/C=C(\C)C(=O)O2)C(OC)C(O)C1(C)OC1CC(C)(O)C(O)C(C)O1
InChIInChI=1S/C53H86O17/c1-28-18-19-29(2)25-39(35(8)53(61)48(64-15)47(58)52(12,40(69-53)17-16-20-62-13)70-41-27-51(11,60)46(57)37(10)65-41)67-49(59)34(7)26-38(63-14)24-31(4)23-33(6)45(32(5)22-30(3)21-28)68-50-44(56)43(55)42(54)36(9)66-50/h18,21-24,26,29,33,35-37,39-48,50,54-58,60-61H,16-17,19-20,25,27H2,1-15H3/b28-18+,30-21+,31-23+,32-22?,34-26+,38-24-
InChIKeyWGKNNAFRSDRHJE-GCXABRJFSA-N
Species of MetaboliteComponentSourceComments
Saccharothrixspecies AJ9571 (ncbitaxon:2912058) - PubMed (19198629)
ChEBI Ontology
Outgoing Relation(s)
Ammocidin C (CHEBI:200619) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7E,13E,15E)-20-[1-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-5-methoxy-3,7,9,11,13,15,18-heptamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one