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CHEBI:213281 - Tetrocarcin Q

ChEBI IDCHEBI:213281
ChEBI NameTetrocarcin Q
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SubmitterMetaboLights
DownloadsMolfile
FormulaC68H96N2O26
Net Charge0
Average Mass1357.504
Monoisotopic Mass1356.62513
SMILESCOC(=O)[C@H]1O[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]8CC[C@@H](O)[C@H](C)O8)[C@H](C)O7)[C@H](C)O6)[C@@H](OC(C)=O)[C@H](COC(C)=O)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]4/C=C/2C)C3=O)C[C@](C)([N+](=O)[O-])[C@H]1N
InChIInChI=1S/C68H96N2O26/c1-30-13-17-46(89-54-27-66(10,70(81)82)61(69)60(95-54)65(80)83-12)31(2)22-42-44(75)23-39(28-71)26-68(42)63(78)55(64(79)96-68)62(77)67(11)41(30)15-14-40-56(67)32(3)21-33(4)57(40)94-53-25-48(59(88-38(9)73)49(92-53)29-84-37(8)72)91-50-20-18-47(35(6)86-50)90-52-24-45(76)58(36(7)87-52)93-51-19-16-43(74)34(5)85-51/h13-15,22-23,28,32-36,40-54,56-61,74-77H,16-21,24-27,29,69H2,1-12H3/b30-13+,31-22+,62-55?/t32-,33-,34-,35-,36-,40-,41-,42+,43+,44-,45+,46-,47+,48+,49-,50-,51-,52+,53-,54+,56+,57-,58-,59+,60-,61-,66-,67+,68-/m0/s1
InChIKeyVUZHLTGUMWTVAC-UZJKIIKESA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (29495293)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin Q (CHEBI:213281) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl (2S,3R,4S,6R)-6-[[(1S,5S,6R,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-17-[(2R,4R,5R,6S)-5-acetyloxy-6-(acetyloxymethyl)-4-[(2S,5R,6S)-5-[(2R,4R,5R,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxyoxan-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-9-yl]oxy]-3-amino-4-methyl-4-nitrooxane-2-carboxylate