EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225052 - Tetrocarcin F-1

ChEBI IDCHEBI:225052
ChEBI NameTetrocarcin F-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H54N2O13
Net Charge0
Average Mass782.884
Monoisotopic Mass782.36259
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](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]4/C=C/2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C41H54N2O13/c1-19-9-12-29(55-30-17-39(6,43(51)52)34(23(5)54-30)42-38(50)53-8)20(2)14-27-28(45)15-24(18-44)16-41(27)36(48)31(37(49)56-41)35(47)40(7)26(19)11-10-25-32(40)21(3)13-22(4)33(25)46/h9-11,14-15,18,21-23,25-30,32-34,45-47H,12-13,16-17H2,1-8H3,(H,42,50)/b19-9+,20-14+,35-31?/t21-,22-,23-,25-,26-,27+,28-,29-,30+,32+,33-,34+,39+,40+,41-/m1/s1
InChIKeyVDDFIJNQPDATJC-CZDWBUHVSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (7142015)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin F-1 (CHEBI:225052) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2R,3R,4S,6R)-6-[[(1R,5R,6S,7E,9R,11E,13R,16R,17R,18R,20R,21S,22R)-3-ormyl-5,17,23-trihydroxy-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-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate