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CHEBI:211052 - Saccharothriolide A

ChEBI IDCHEBI:211052
ChEBI NameSaccharothriolide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO8
Net Charge0
Average Mass485.533
Monoisotopic Mass485.20497
SMILESC[C@@H]1[C@@H](Nc2ccccc2C(=O)O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C26H31NO8/c1-12-21(27-20-8-6-5-7-19(20)25(32)33)13(2)24(16-9-17(28)11-18(29)10-16)35-26(34)15(4)23(31)14(3)22(12)30/h5-15,21,23-24,27-29,31H,1-4H3,(H,32,33)/t12-,13-,14-,15-,21+,23-,24+/m1/s1
InChIKeyCWHSFNZCFPVDOB-PHVYJYCRSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (25869768)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Saccharothriolide A (CHEBI:211052) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
2-[[(2S,3R,4R,5R,7S,8R,9R)-2-(3,5-dihydroxyphenyl)-8-hydroxy-3,5,7,9-tetramethyl-6,10-dioxooxecan-4-yl]amino]benzoic acid
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