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CHEBI:225324 - Rocheicoside A

ChEBI IDCHEBI:225324
ChEBI NameRocheicoside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N6O9
Net Charge0
Average Mass630.699
Monoisotopic Mass630.30133
SMILESC[C@H]1O[C@H](O[C@H]2CC[C@H](n3ccc(NC(=O)c4ccc(N5CN[C@](C)(CO)C5=O)cc4)nc3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1N(C)C
InChIInChI=1S/C30H42N6O9/c1-16-20(45-27-25(39)24(38)23(34(4)5)17(2)44-27)10-11-22(43-16)35-13-12-21(33-29(35)42)32-26(40)18-6-8-19(9-7-18)36-15-31-30(3,14-37)28(36)41/h6-9,12-13,16-17,20,22-25,27,31,37-39H,10-11,14-15H2,1-5H3,(H,32,33,40,42)/t16-,17-,20+,22-,23-,24+,25-,27-,30-/m1/s1
InChIKeyBXDVRSOGLZXUTQ-ZHZRTDKSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26126744)
ChEBI Ontology
Outgoing Relation(s)
Rocheicoside A (CHEBI:225324) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
N-[1-[(2R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-[(4R)-4-(hydroxymethyl)-4-methyl-5-oxoimidazolidin-1-yl]benzamide
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