CHEBI:220186 - Rifamorpholine 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 Rifamorpholine A
ChEBI ID CHEBI:220186
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H45NO13
Net Charge 0
Average Mass 711.761
Monoisotopic Mass 711.28909
InChI InChI=1S/C37H45NO13/c1-15-11-10-13-36(7)35(46)38-25-30(44)29(43)22-23(33(25)50-36)28(42)19(5)32-24(22)34(45)37(8,51-32)48-14-12-21(47-9)16(2)31(49-20(6)39)18(4)27(41)17(3)26(15)40/h10-14,16-18,21,26-27,31,40-44H,1-9H3,(H,38,46)/b13-10-,14-12+,15-11+/t16-,17-,18-,21+,26-,27-,31-,36+,37+/m1/s1
InChIKey SMMZRVDPJAUUOF-XAHJNJQSSA-N
SMILES O=C1NC2=C3C4=C(O)C(=C5O[C@@](C(C5=C4C(=C2O)O)=O)(OC=C[C@H](OC)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](C(=CC=C[C@@]1(O3)C)C)O)C)O)C)OC(=O)C)C)C)C
Metabolite of Species Details
Amycolatopsisspecies Hca4 (NCBI:txid2742131) See: DOI
ChEBI Ontology
Outgoing Rifamorpholine A (CHEBI:220186) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(7S,9E,11S,12R,13S,14R,15R,16S,17S,18E,20Z,22S)-2,15,17,26,27-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30,31-trioxa-24-azapentacyclo[20.6.2.14,7.05,28.025,29]hentriaconta-1(28),2,4,9,18,20,25(29),26-octaen-13-yl] acetate