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CHEBI:225119 - 16,17-dehydrorifamycin G

ChEBI IDCHEBI:225119
ChEBI Name16,17-dehydrorifamycin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H45NO12
Net Charge0
Average Mass683.751
Monoisotopic Mass683.29418
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4oc(cc(=O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C36H45NO12/c1-16-11-10-12-17(2)35(44)37-25-15-23(39)26-27-32(21(6)30(42)33(26)48-25)49-36(8,34(27)43)46-14-13-24(45-9)18(3)31(47-22(7)38)20(5)29(41)19(4)28(16)40/h10-16,18-20,24,28-29,31,40-42H,1-9H3,(H,37,44)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,28-,29+,31+,36-/m0/s1
InChIKeyFONPPYGJUVVMEY-KSPWGVMOSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7319930)
ChEBI Ontology
Outgoing Relation(s)
16,17-dehydrorifamycin G (CHEBI:225119) is a azamacrocycle (CHEBI:52898)
16,17-dehydrorifamycin G (CHEBI:225119) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,29,30-trioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Manual XrefsDatabases
78443292ChemSpider