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CHEBI:227888 - Saccharothriolide F

ChEBI IDCHEBI:227888
ChEBI NameSaccharothriolide F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29NO8
Net Charge0
Average Mass471.506
Monoisotopic Mass471.18932
SMILESC[C@@H]1[C@@H](Nc2ccccc2C(=O)O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O[C@@H]1c1cc(O)cc(O)c1
InChIInChI=1S/C25H29NO8/c1-12-20(29)11-21(30)34-24(15-8-16(27)10-17(28)9-15)14(3)22(13(2)23(12)31)26-19-7-5-4-6-18(19)25(32)33/h4-10,12-14,20,22,24,26-29H,11H2,1-3H3,(H,32,33)/t12-,13+,14+,20-,22-,24-/m0/s1
InChIKeyFJQZRIZEYZKFCA-SMEQSTRZSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (27332142)
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 F (CHEBI:227888) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
2-[[(2S,3R,4R,5R,7S,8S)-2-(3,5-dihydroxyphenyl)-8-hydroxy-3,5,7-trimethyl-6,10-dioxooxecan-4-yl]amino]benzoic acid
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