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CHEBI:223954 - Septamycin

ChEBI IDCHEBI:223954
ChEBI NameSeptamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O16
Net Charge0
Average Mass915.168
Monoisotopic Mass914.56029
SMILESCO[C@H]1C[C@@H](C[C@H]2O[C@@](O)([C@H](C)C(=O)O)[C@H](C)[C@H](OC)[C@@]2(C)O[C@H]2CC[C@@H](OC)[C@H](C)O2)O[C@]2(O[C@@](C)([C@@H]3CC[C@H]([C@H]4CC[C@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)O4)O3)[C@H](OC)[C@H]2C)[C@@H]1C
InChIInChI=1S/C48H82O16/c1-24-21-25(2)46(10,51)63-40(24)35-16-15-33(58-35)34-17-19-37(59-34)45(9)42(56-14)28(5)48(64-45)26(3)36(54-12)22-31(60-48)23-38-44(8,62-39-20-18-32(53-11)30(7)57-39)41(55-13)27(4)47(52,61-38)29(6)43(49)50/h24-42,51-52H,15-23H2,1-14H3,(H,49,50)/t24-,25+,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,39-,40-,41-,42+,44-,45-,46-,47+,48-/m0/s1
InChIKeyQZVSDERYSHAHPU-MJRLPXPPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (172482)
ChEBI Ontology
Outgoing Relation(s)
Septamycin (CHEBI:223954) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2S)-2-[(2R,3R,4S,5S,6R)-2-hydroxy-6-[[(2S,3R,4R,5S,6R,7S,9S)-2-[(2S,5R)-5-[(2R,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-[(2S,5R,6S)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propanoic acid
Manual XrefsDatabases
78443151ChemSpider