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CHEBI:198189 - Ripostatin A

ChEBI IDCHEBI:198189
ChEBI NameRipostatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O6
Net Charge0
Average Mass494.628
Monoisotopic Mass494.26684
SMILESC/C1=C/C/C=C\C/C(CC(=O)O)=C\C(=O)O[C@@H]2C[C@@H](C1)O[C@@](O)(CC/C(C)=C/Cc1ccccc1)C2
InChIInChI=1S/C30H38O6/c1-22(13-14-24-10-6-4-7-11-24)15-16-30(34)21-27-20-26(36-30)17-23(2)9-5-3-8-12-25(18-28(31)32)19-29(33)35-27/h3-4,6-11,13,19,26-27,34H,5,12,14-18,20-21H2,1-2H3,(H,31,32)/b8-3-,22-13+,23-9-,25-19+/t26-,27-,30+/m1/s1
InChIKeyROPGADFKOUALIE-DJIBYVLHSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - DOI (10.1002/jlac.199619961026)
ChEBI Ontology
Outgoing Relation(s)
Ripostatin A (CHEBI:198189) is a macrolide (CHEBI:25106)
IUPAC Name 
2-[(1R,4E,7Z,10Z,13R,15S)-15-hydroxy-11-methyl-15-[(E)-3-methyl-5-phenylpent-3-enyl]-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,7,10-trien-5-yl]acetic acid
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