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CHEBI:68061 - kabiramide K

ChEBI IDCHEBI:68061
ChEBI Namekabiramide K
Stars
DefinitionA natural product found in Pachastrissa nux.
Last Modified22 September 2014
DownloadsMolfile
FormulaC46H66N4O12
Net Charge0
Average Mass867.050
Monoisotopic Mass866.46772
SMILESCO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](C)C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O)[C@@H]1C
InChIInChI=1S/C46H66N4O12/c1-27(16-17-50(7)26-51)18-30(4)37(53)15-14-29(3)40(57-9)22-41-32(6)39(56-8)12-11-13-42-47-35(24-59-42)45-49-36(25-61-45)46-48-34(23-60-46)44(58-10)31(5)38(54)20-28(2)19-33(52)21-43(55)62-41/h11,13,16-18,23-29,31-33,38-41,44,52,54H,12,14-15,19-22H2,1-10H3/b13-11+,17-16+,30-18+/t27-,28+,29+,31+,32-,33+,38+,39+,40+,41+,44-/m1/s1
InChIKeyBURLCNUJBHPOOO-RUWUMMDESA-N
Species of MetaboliteComponentSourceComments
Pachastrissa nux (WORMS:555791) - PubMed (21410162) Methanolic extract of macerated sponge specimens
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
kabiramide K (CHEBI:68061) has role metabolite (CHEBI:25212)
kabiramide K (CHEBI:68061) is a diterpene lactone (CHEBI:49193)
Synonym  Source
N-{(1E,3S,4E,9S,10S)-11-[(10R,11S,12S,14S,16S,20S,21R,22S,24E)-12,16-Dihydroxy-10,22-dimethoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1[2,5].1[6,9]]hentriaconta- 1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethyl-6-oxo-1,4-undecadien-1-yl}-N-methylformamideChEBI
Citations