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CHEBI:205609 - Tetrocarcin N

ChEBI IDCHEBI:205609
ChEBI NameTetrocarcin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H100N2O24
Net Charge0
Average Mass1317.527
Monoisotopic Mass1316.66660
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]8CC[C@@H](O)[C@H](C)O8)[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(C[C@H](CO)C[C@H](O)C4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C67H100N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23,32-38,40-54,56-60,70,72-75H,17-22,24-29H2,1-13H3,(H,68,78)/b30-14+,31-23?,61-55?/t32-,33-,34-,35-,36-,37-,38+,40+,41-,42-,43?,44+,45-,46+,47-,48+,49+,50-,51-,52+,53-,54-,56+,57-,58-,59-,60-,65-,66+,67-/m0/s1
InChIKeyGPWOVVFQDOISLQ-UOUAQJLWSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies 5-297 (ncbitaxon:866460) - DOI (10.1039/c6ra17026a)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin N (CHEBI:205609) is a sesterterpenoid (CHEBI:26660)