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CHEBI:209423 - 20-hydroxyrifamycin S

ChEBI IDCHEBI:209423
ChEBI Name20-hydroxyrifamycin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO13
Net Charge0
Average Mass711.761
Monoisotopic Mass711.28909
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C/[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
InChIInChI=1S/C37H45NO13/c1-16-11-10-13-36(7,47)33(44)20(5)28(41)18(3)31(50-21(6)39)17(2)24(48-9)12-14-49-37(8)34(45)27-25-23(40)15-22(38-35(16)46)30(43)26(25)29(42)19(4)32(27)51-37/h10-15,17-18,20,24,28,31,33,41-42,44,47H,1-9H3,(H,38,46)/b13-10+,14-12+,16-11+/t17-,18-,20+,24+,28+,31-,33-,36-,37+/m1/s1
InChIKeyJNENPBGVIMPKJY-AKRCJVEDSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei S699 (ncbitaxon:713604) - PubMed (30714736)
ChEBI Ontology
Outgoing Relation(s)
20-hydroxyrifamycin S (CHEBI:209423) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16S,17R,18R,19E,21E)-2,15,17,18-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate