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CHEBI:225608 - (3R,5E,7R,8R,11R,12S,13R,14S,15S)-5,7,8,11,13,15-Hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-5-en-12-yl 2,6-dideoxy-3-O-methy l-alpha-L-arabino-hexopyranoside

ChEBI IDCHEBI:225608
ChEBI Name(3R,5E,7R,8R,11R,12S,13R,14S,15S)-5,7,8,11,13,15-Hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-5-en-12-yl 2,6-dideoxy-3-O-methy l-alpha-L-arabino-hexopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H59NO11
Net Charge0
Average Mass669.853
Monoisotopic Mass669.40881
SMILESCOC1CC(O[C@H]2[C@H](C)[C@@H](OC3OC(C)CC(N(C)C)C3O)[C@@H](C)C[C@@]3(CO3)C(=O)/C(C)=C\[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)OC(C)C1O
InChIInChI=1S/C35H59NO11/c1-17-12-18(2)32(39)35(16-42-35)15-19(3)30(47-34-29(38)25(36(9)10)13-20(4)43-34)21(5)31(22(6)33(40)45-23(17)7)46-27-14-26(41-11)28(37)24(8)44-27/h12,17,19-31,34,37-38H,13-16H2,1-11H3/b18-12-/t17-,19+,20?,21-,22-,23-,24?,25?,26?,27?,28?,29?,30+,31+,34?,35-/m1/s1
InChIKeyGUJPSWULRMOFSD-IHDLMGLKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces antibioticus (ncbitaxon:1890) - PubMed (15895528)
ChEBI Ontology
Outgoing Relation(s)
(3R,5E,7R,8R,11R,12S,13R,14S,15S)-5,7,8,11,13,15-Hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-5-en-12-yl 2,6-dideoxy-3-O-methy l-alpha-L-arabino-hexopyranoside (CHEBI:225608) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,5S,6S,7R,8S,9R,12R,13R,14Z)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadec-14-ene-10,16-dione
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