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CHEBI:227745 - Grecocycline A

ChEBI IDCHEBI:227745
ChEBI NameGrecocycline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H47NO13
Net Charge0
Average Mass713.777
Monoisotopic Mass713.30474
SMILESCC1=CC(=O)[C@]2(O)[C@@]34O[C@]3(C[C@@H](O[C@H]3CC[C@H](N)[C@H](C)O3)[C@]2(O)C1)C(=O)c1c(ccc([C@H]2CC[C@H](O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](C)O2)c1O)C4=O
InChIInChI=1S/C37H47NO13/c1-16-13-26(40)36(45)34(44,14-16)27(50-29-11-7-22(38)17(2)47-29)15-35-33(43)30-21(32(42)37(35,36)51-35)6-5-20(31(30)41)25-10-9-24(19(4)46-25)49-28-12-8-23(39)18(3)48-28/h5-6,13,17-19,22-25,27-29,39,41,44-45H,7-12,14-15,38H2,1-4H3/t17-,18-,19-,22-,23-,24-,25+,27+,28-,29-,34+,35+,36+,37-/m0/s1
InChIKeyGOUBYAGYZSMNTI-JBDBQMHHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/ejoc.201000054)
ChEBI Ontology
Outgoing Relation(s)
Grecocycline A (CHEBI:227745) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1R,2R,7R,8R,10S)-8-[(2S,5S,6S)-5-amino-6-methyloxan-2-yl]oxy-2,7,13-trihydroxy-14-[(2R,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-4,12(17),13,15-tetraene-3,11,18-trione