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CHEBI:68060 - kabiramide J

ChEBI IDCHEBI:68060
ChEBI Namekabiramide J
Stars
DefinitionA natural product found in Pachastrissa nux.
Last Modified22 September 2014
DownloadsMolfile
FormulaC46H65N5O13
Net Charge0
Average Mass896.048
Monoisotopic Mass895.45789
SMILESCO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O
InChIInChI=1S/C46H65N5O13/c1-26(15-16-51(7)25-52)17-29(4)36(53)14-13-28(3)39(58-8)21-40-30(5)37(54)11-10-12-41-48-34(23-60-41)44-50-35(24-62-44)45-49-33(22-61-45)43(59-9)31(6)38(55)19-27(2)18-32(63-46(47)57)20-42(56)64-40/h10,12,15-17,22-28,30-32,37-40,43,54-55H,11,13-14,18-21H2,1-9H3,(H2,47,57)/b12-10+,16-15+,29-17+/t26-,27+,28+,30-,31+,32+,37+,38+,39+,40+,43-/m1/s1
InChIKeyYGIPHYWFBPFNFA-AWOSXSGWSA-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 J (CHEBI:68060) has role metabolite (CHEBI:25212)
kabiramide J (CHEBI:68060) is a diterpene lactone (CHEBI:49193)
Synonym  Source
(10R,11S,12S,14R,16S,20S,21R,22S,24E)-20-{(2S,3S,7E,9S,10E)-11-[Formyl(methyl)amino]-2-methoxy-3,7,9-trimethyl-6-oxo-7,10-undecadien-1-yl}-12,22-dihydroxy-10-methoxy-11,14,21-trimethyl-18-oxo-3,7,19,2 7-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-16-yl carbamateChEBI
Citations