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CHEBI:208321 - Terrosamycin A

Default Structure
ChEBI IDCHEBI:208321
ChEBI NameTerrosamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76O13
Net Charge0
Average Mass813.079
Monoisotopic Mass812.52859
SMILESC[C@@H]1C[C@H](C)[C@@](O)(C[C@H]2O[C@@](O)(C[C@@H](O)[C@@H](C)C(=O)[C@](C)(O)[C@@H]3CC[C@@](C)([C@H]4CC[C@@](C)(O)[C@H](C)O4)O3)[C@H](C)C[C@@H]2C)O[C@H]1C[C@H]1CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O1
InChIInChI=1S/C44H76O13/c1-23-12-13-31(54-37(23)29(7)39(47)48)20-33-24(2)18-27(5)44(52,55-33)22-34-25(3)19-26(4)43(51,56-34)21-32(45)28(6)38(46)42(11,50)36-15-17-41(10,57-36)35-14-16-40(9,49)30(8)53-35/h23-37,45,49-52H,12-22H2,1-11H3,(H,47,48)/t23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34+,35+,36-,37-,40+,41-,42+,43-,44+/m0/s1
InChIKeyAOWORCAWCUMUFI-YKGJABRQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31212620)
ChEBI Ontology
Outgoing Relation(s)
Terrosamycin A (CHEBI:208321) is a oxanes (CHEBI:46942)
IUPAC Name 
(2R)-2-[(2S,3S,6R)-6-[[(2S,3R,5S,6R)-6-[[(2R,3S,5R,6S)-6-[(2R,3R,5R)-2,5-dihydroxy-5-[(2S,5S)-5-[(2R,5R,6S)-5-hydroxy-5,6-dimethyloxan-2-yl]-5-methyloxolan-2-yl]-3-methyl-4-oxohexyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-3-methyloxan-2-yl]propanoic acid
Manual XrefsDatabases
76117738ChemSpider