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CHEBI:207568 - Tetrocarcin P

ChEBI IDCHEBI:207568
ChEBI NameTetrocarcin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H88N2O20
Net Charge0
Average Mass1169.369
Monoisotopic Mass1168.59304
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]7C[C@@H](O)[C@@H](O)[C@H](C)O7)[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
InChIInChI=1S/C61H88N2O20/c1-27-13-16-42(79-48-25-59(10,62)54(34(8)77-48)63-58(72)73-12)28(2)20-39-40(66)21-36(26-64)24-61(39)56(70)49(57(71)83-61)55(69)60(11)38(27)15-14-37-50(60)29(3)19-30(4)52(37)82-47-23-44(53(33(7)76-47)78-35(9)65)81-45-18-17-43(31(5)74-45)80-46-22-41(67)51(68)32(6)75-46/h13-15,20-21,26,29-34,37-48,50-54,66-69H,16-19,22-25,62H2,1-12H3,(H,63,72)/b27-13+,28-20?,55-49?/t29-,30-,31-,32-,33-,34+,37-,38-,39+,40-,41+,42-,43+,44+,45-,46+,47-,48-,50+,51-,52-,53-,54-,59-,60+,61-/m0/s1
InChIKeyMCXFAZYFWVGPTC-PVKZRPDYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28489382)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin P (CHEBI:207568) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2S,3S,4R,6R)-6-[[(1S,5S,6R,9S,11E,13S,16S,17S,18S,20S,21R,22S)-9-[(2R,4S,5R,6R)-4-amino-5-(methoxycarbonylamino)-4,6-dimethyloxan-2-yl]oxy-3-ormyl-5,23-dihydroxy-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-[(2S,5R,6S)-5-[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate