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CHEBI:223471 - Grecocycline D

ChEBI IDCHEBI:223471
ChEBI NameGrecocycline D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO14
Net Charge0
Average Mass731.792
Monoisotopic Mass731.31531
SMILESCC1=CC(=O)[C@]2(O)[C@]3(O)C(=O)c4ccc([C@@H]5CC[C@@H](O[C@H]6CC[C@H](O)[C@H](C)O6)[C@@H](C)O5)c(O)c4C(=O)[C@@]3(O)C[C@@H](O[C@@H]3CC[C@@H](N)[C@@H](C)O3)[C@]2(O)C1
InChIInChI=1S/C37H49NO14/c1-16-13-26(40)36(46)34(44,14-16)27(52-29-11-7-22(38)17(2)49-29)15-35(45)33(43)30-21(32(42)37(35,36)47)6-5-20(31(30)41)25-10-9-24(19(4)48-25)51-28-12-8-23(39)18(3)50-28/h5-6,13,17-19,22-25,27-29,39,41,44-47H,7-12,14-15,38H2,1-4H3/t17-,18+,19-,22-,23+,24-,25+,27-,28+,29-,34-,35+,36-,37+/m1/s1
InChIKeyBUONZUXMJXFOAG-FNDYOVKTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32647213)
ChEBI Ontology
Outgoing Relation(s)
Grecocycline D (CHEBI:223471) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(4aR,5R,6aR,12aS,12bR)-5-[(2R,5R,6R)-5-amino-6-methyloxan-2-yl]oxy-4a,6a,8,12a,12b-pentahydroxy-9-[(2S,5R,6R)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-3-methyl-5,6-dihydro-4H-benzo[a]anthracene-1,7,12-trione