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CHEBI:197956 - Ammocidin D

ChEBI IDCHEBI:197956
ChEBI NameAmmocidin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H74O15
Net Charge0
Average Mass867.083
Monoisotopic Mass866.50277
SMILESCOCCCC1OC(O)(C(C)C2CC(C)C(O)/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)O
InChIInChI=1S/C46H74O15/c1-24-17-25(2)21-34(47)27(4)23-35(31(8)46(54)42(57-13)41(51)45(10,53)36(61-46)15-14-16-55-11)59-43(52)30(7)22-33(56-12)20-26(3)19-29(6)40(28(5)18-24)60-44-39(50)38(49)37(48)32(9)58-44/h17-22,27,29,31-32,34-42,44,47-51,53-54H,14-16,23H2,1-13H3/b24-17+,25-21+,26-19+,28-18?,30-22+,33-20-
InChIKeyYJOGYZDOTYJRLL-SYGAIJIJSA-N
Species of MetaboliteComponentSourceComments
Saccharothrixspecies AJ9571 (ncbitaxon:2912058) - PubMed (19198629)
ChEBI Ontology
Outgoing Relation(s)
Ammocidin D (CHEBI:197956) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5Z,7E,13E,15E)-17-hydroxy-5-methoxy-3,7,9,11,13,15,18-heptamethyl-20-[1-[2,4,5-trihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one