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CHEBI:225057 - Tetrocarcin F

ChEBI IDCHEBI:225057
ChEBI NameTetrocarcin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H76N2O19
Net Charge0
Average Mass1069.208
Monoisotopic Mass1068.50423
SMILESCOC(=O)N[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@H](O[C@@H]6CC[C@H](O)[C@@H](C)O6)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](C)C[C@H](C)[C@@H]4[C@@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C55H76N2O19/c1-25-12-16-39(73-43-23-53(9,57(66)67)48(31(7)71-43)56-52(65)68-11)26(2)19-36-38(61)20-33(24-58)22-55(36)50(63)44(51(64)76-55)49(62)54(10)35(25)14-13-34-45(54)27(3)18-28(4)46(34)75-42-21-40(47(30(6)70-42)72-32(8)59)74-41-17-15-37(60)29(5)69-41/h12-14,19-20,24,27-31,34-43,45-48,60-62H,15-18,21-23H2,1-11H3,(H,56,65)/b25-12-,26-19?,49-44?/t27-,28+,29+,30+,31+,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,45-,46-,47+,48+,53-,54-,55-/m0/s1
InChIKeyVNMRZYMWGLJOHX-LRSZROQDSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (7142015)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin F (CHEBI:225057) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2R,3R,4S,6R)-6-[[(1S,5S,6S,9R,11Z,13S,16S,17S,18R,20S,21S,22R)-3-ormyl-5,23-dihydroxy-9-[(2R,4S,5S,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-17-yl]oxy]-4-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate