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CHEBI:216818 - Amycolamycin B

ChEBI IDCHEBI:216818
ChEBI NameAmycolamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H40ClNO14
Net Charge0
Average Mass782.195
Monoisotopic Mass781.21373
SMILESCOc1cc2c(Cl)c(c1OC)OC1c3ccc(cc3C3=CC[C@@H](O)C31O[C@H]1OC[C@H](NC(=O)c3c(C)ccc(C)c3O)[C@](C)(O)[C@@H]1O)[C@@H]1O[C@@H]1OC(=O)[C@H]2O
InChIInChI=1S/C39H40ClNO14/c1-15-6-7-16(2)27(43)25(15)34(46)41-23-14-51-37(32(45)38(23,3)48)55-39-21(10-11-24(39)42)19-12-17-8-9-18(19)33(39)52-31-26(40)20(13-22(49-4)30(31)50-5)28(44)35(47)54-36-29(17)53-36/h6-10,12-13,23-24,28-29,32-33,36-37,42-45,48H,11,14H2,1-5H3,(H,41,46)/t23-,24+,28-,29-,32+,33?,36+,37+,38-,39?/m0/s1
InChIKeyQEELWEJRXMVOPO-CCCIZYSCSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies Hca4 (ncbitaxon:2742131) - PubMed (29090939)
ChEBI Ontology
Outgoing Relation(s)
Amycolamycin B (CHEBI:216818) is a macrolide (CHEBI:25106)
IUPAC Name 
N-[(3S,4S,5S,6R)-6-[[(2S,4R,7S,16R)-25-chloro-7,16-dihydroxy-10,11-dimethoxy-6-oxo-3,5,13-trioxahexacyclo[18.3.1.18,12.02,4.014,21.015,19]pentacosa-1(24),8,10,12(25),18,20,22-heptaen-15-yl]oxy]-4,5-dihydroxy-4-methyloxan-3-yl]-2-hydroxy-3,6-dimethylbenzamide
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