CHEBI:198192 - Ruthmycin

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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 Ruthmycin
ChEBI ID CHEBI:198192
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O7
Net Charge 0
Average Mass 386.400
Monoisotopic Mass 386.13655
InChI InChI=1S/C21H22O7/c1-2-4-16-20-9-11(22)10-21(27,15(20)7-12(28-16)8-17(24)25)13-5-3-6-14(23)18(13)19(20)26/h3,5-7,12,16,23,27H,2,4,8-10H2,1H3,(H,24,25)/t12-,16+,20+,21-/m0/s1
InChIKey NUSPYTZPFANSTB-UKZSNMSTSA-N
SMILES O=C1C2=C(O)C=CC=C2[C@@]3(O)CC(C[C@]14C3=C[C@@H](CC(=O)O)O[C@@H]4CCC)=O
Metabolite of Species Details
Streptomycesspecies RM-4-15 (NCBI:txid1337050) See: PubMed
ChEBI Ontology
Outgoing Ruthmycin (CHEBI:198192) is a organic heterotricyclic compound (CHEBI:26979)
Ruthmycin (CHEBI:198192) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[(1R,9R,12R,14R)-4,9-dihydroxy-2,16-dioxo-14-propyl-13-oxatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6,10-tetraen-12-yl]acetic acid
Manual Xref Database
30830036 ChemSpider
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