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CHEBI:68064 - kabiramide D

ChEBI IDCHEBI:68064
ChEBI Namekabiramide D
Stars
DefinitionA natural product found in Pachastrissa nux.
Last Modified22 September 2014
DownloadsMolfile
FormulaC47H70N4O13
Net Charge0
Average Mass899.092
Monoisotopic Mass898.49394
SMILESCO[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](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](OC)[C@H]1C)OC
InChIInChI=1S/C47H70N4O13/c1-27-19-33(53)21-43(56)64-41(22-40(58-9)28(2)15-16-37(54)30(4)44(59-10)29(3)17-18-51(7)26-52)32(6)39(57-8)13-12-14-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-11)31(5)38(55)20-27/h12,14,17-18,23-33,38-41,44-45,53,55H,13,15-16,19-22H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+/m0/s1
InChIKeyMHMMVHZHFBPYJC-NODZMMCWSA-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 D (CHEBI:68064) has role metabolite (CHEBI:25212)
kabiramide D (CHEBI:68064) is a diterpene lactone (CHEBI:49193)
Synonym  Source
N-{(1E,3R,4R,5R,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]]hentriacon ta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-1-undecen-1-yl}-N-methylformamideChEBI
Citations