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CHEBI:204557 - Ansacarbamitocin D

ChEBI IDCHEBI:204557
ChEBI NameAnsacarbamitocin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H47ClN4O15
Net Charge0
Average Mass799.227
Monoisotopic Mass798.27264
SMILESCNC(=O)O[C@H]1CC(=O)N([C@H]2O[C@@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@@H]2O)c2cc(cc(O)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C
InChIInChI=1S/C35H47ClN4O15/c1-15-7-6-8-22(50-5)35(49)13-20(52-33(48)39-35)16(2)29-34(3,55-29)23(53-32(47)38-4)12-24(43)40(18-10-17(9-15)11-19(42)25(18)36)30-27(45)26(44)28(54-31(37)46)21(14-41)51-30/h6-8,10-11,16,20-23,26-30,41-42,44-45,49H,9,12-14H2,1-5H3,(H2,37,46)(H,38,47)(H,39,48)/b8-6+,15-7+/t16-,20+,21+,22-,23+,26+,27+,28+,29+,30+,34+,35+/m1/s1
InChIKeyXPIJOLPXNNKWBT-VEGPDJPXSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies (ncbitaxon:37632) - PubMed (17892263)
ChEBI Ontology
Outgoing Relation(s)
Ansacarbamitocin D (CHEBI:204557) is a O-acyl carbohydrate (CHEBI:52782)
Ansacarbamitocin D (CHEBI:204557) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-9-[(2S,3S,4S,5R,6S)-5-carbamoyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-11-chloro-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] N-methylcarbamate
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