CHEBI:198189 - Ripostatin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ripostatin A
ChEBI ID CHEBI:198189
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H38O6
Net Charge 0
Average Mass 494.628
Monoisotopic Mass 494.26684
InChI InChI=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
InChIKey ROPGADFKOUALIE-DJIBYVLHSA-N
SMILES O=C1O[C@H]2C[C@](O[C@@H](C2)CC(=CCC=CCC(=C1)CC(=O)O)C)(O)CC/C(=C/CC3=CC=CC=C3)/C
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
8521101 ChemSpider
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