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CHEBI:207122 - methyl 2,4-dihydroxy-3-[3-[(1R,5S,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoate

ChEBI IDCHEBI:207122
ChEBI Namemethyl 2,4-dihydroxy-3-[3-[(1R,5S,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H29NO7
Net Charge0
Average Mass455.507
Monoisotopic Mass455.19440
SMILESC=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)C2C[C@@H]1C[C@H]3O
InChIInChI=1S/C25H29NO7/c1-13-12-25-9-6-18(28)24(2,17(25)10-14(13)11-19(25)29)8-7-20(30)26-21-16(27)5-4-15(22(21)31)23(32)33-3/h4-6,9,14,17,19,27,29,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t14-,17?,19-,24+,25+/m1/s1
InChIKeyFHEDZLXSZGPRCC-ZXIRRWRLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19581087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
methyl 2,4-dihydroxy-3-[3-[(1R,5S,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoate (CHEBI:207122) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
methyl 2,4-dihydroxy-3-[3-[(1R,5S,8R,11R)-11-hydroxy-5-methyl-9-methylidene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoate
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