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CHEBI:208945 - Grecocycline B

ChEBI IDCHEBI:208945
ChEBI NameGrecocycline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO13S
Net Charge0
Average Mass747.860
Monoisotopic Mass747.29246
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(S)C[C@@H](O[C@H]3CC[C@H](N)[C@H](C)O3)[C@]2(O)C1
InChIInChI=1S/C37H49NO13S/c1-16-13-26(40)36(45)34(44,14-16)27(51-29-11-7-22(38)17(2)48-29)15-35(52)33(43)30-21(32(42)37(35,36)46)6-5-20(31(30)41)25-10-9-24(19(4)47-25)50-28-12-8-23(39)18(3)49-28/h5-6,13,17-19,22-25,27-29,39,41,44-46,52H,7-12,14-15,38H2,1-4H3/t17-,18-,19-,22-,23-,24-,25+,27+,28-,29-,34+,35-,36+,37-/m0/s1
InChIKeyUQLLTYGXVDVESM-AWUVOQCASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/ejoc.201000054)
ChEBI Ontology
Outgoing Relation(s)
Grecocycline B (CHEBI:208945) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(4aR,5R,6aR,12aS,12bR)-5-[(2S,5S,6S)-5-amino-6-methyloxan-2-yl]oxy-4a,8,12a,12b-tetrahydroxy-9-[(2R,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-3-methyl-6a-sulanyl-5,6-dihydro-4H-benzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
78441296ChemSpider