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CHEBI:208327 - Terrosamycin B

ChEBI IDCHEBI:208327
ChEBI NameTerrosamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80O13
Net Charge0
Average Mass841.133
Monoisotopic Mass840.55989
SMILESCO[C@@]1(C[C@@H](O)[C@@H](C)C(=O)[C@](C)(O)[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)(O)[C@H](C)O3)O2)O[C@H](C[C@@]2(OC)O[C@@H](C[C@H]3CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@H]1C
InChIInChI=1S/C46H80O13/c1-25-14-15-33(56-39(25)31(7)41(49)50)22-35-26(2)20-29(5)46(54-13,57-35)24-36-27(3)21-28(4)45(53-12,58-36)23-34(47)30(6)40(48)44(11,52)38-17-19-43(10,59-38)37-16-18-42(9,51)32(8)55-37/h25-39,47,51-52H,14-24H2,1-13H3,(H,49,50)/t25-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35-,36+,37+,38-,39-,42+,43-,44+,45-,46+/m0/s1
InChIKeyZTVHWWKOGFPEBH-STCRIONLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31212620)
ChEBI Ontology
Outgoing Relation(s)
Terrosamycin B (CHEBI:208327) is a ketal (CHEBI:59777)
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-methoxy-3,5-dimethyloxan-2-yl]methyl]-6-methoxy-3,5-dimethyloxan-2-yl]methyl]-3-methyloxan-2-yl]propanoic acid
Manual XrefsDatabases
76117737ChemSpider