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CHEBI:205610 - Tetrocarcin O

ChEBI IDCHEBI:205610
ChEBI NameTetrocarcin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H90N2O22
Net Charge0
Average Mass1203.383
Monoisotopic Mass1202.59852
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(C[C@H](CO)C[C@H](O)C4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C61H90N2O22/c1-27-13-16-42(81-48-25-59(10,63(73)74)54(34(8)79-48)62-58(72)75-12)28(2)20-39-40(66)21-36(26-64)24-61(39)56(70)49(57(71)85-61)55(69)60(11)38(27)15-14-37-50(60)29(3)19-30(4)52(37)84-47-23-44(53(33(7)78-47)80-35(9)65)83-45-18-17-43(31(5)76-45)82-46-22-41(67)51(68)32(6)77-46/h13-15,20,29-34,36-48,50-54,64,66-69H,16-19,21-26H2,1-12H3,(H,62,72)/b27-13+,28-20?,55-49?/t29-,30-,31-,32-,33-,34+,36+,37-,38-,39?,40-,41+,42-,43+,44+,45-,46+,47-,48-,50+,51-,52-,53-,54-,59-,60+,61-/m0/s1
InChIKeyOZSIZYJXJZFSFQ-KFPPFFLSSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies 5-297 (ncbitaxon:866460) - DOI (10.1039/c6ra17026a)
ChEBI Ontology
Outgoing Relation(s)
Tetrocarcin O (CHEBI:205610) is a sesterterpenoid (CHEBI:26660)