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CHEBI:69398 - Monanchocidin A, rel-

Default Structure
ChEBI IDCHEBI:69398
ChEBI NameMonanchocidin A, rel-
Stars
DefinitionA natural product found in Monanchora pulchra.
DownloadsMolfile
FormulaC2F3O2.C47H83N6O8
Net Charge0
Average Mass973.229
Monoisotopic Mass972.61228
SMILESO=C([O-])C(F)(F)F.[H][C@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCCC[C@]4([H])O[C@](O)(CCN)[C@H](O)N(CCCN)C4=O)[C@@]4(CCC[C@H](C)O4)NC(=[N+]13)N[C@@]1(CC[C@@H](/C=C/CC)O1)C2
InChIInChI=1S/C47H82N6O8.C2HF3O2/c1-4-6-21-37-26-28-45(60-37)33-35-24-25-38-40(46(27-18-20-34(3)59-46)51-44(50-45)53(35)38)42(55)58-36(5-2)22-16-14-12-10-8-7-9-11-13-15-17-23-39-41(54)52(32-19-30-48)43(56)47(57,61-39)29-31-49;3-2(4,5)1(6)7/h6,21,34-40,43,56-57H,4-5,7-20,22-33,48-49H2,1-3H3,(H,50,51);(H,6,7)/b21-6+;/t34-,35+,36?,37+,38-,39-,40-,43-,45+,46-,47+;/m0./s1
InChIKeyAGJOOKRGJXJXTE-SAAFPTPOSA-N
Species of MetaboliteComponentSourceComments
Monanchora pulchra (WORMS:169022) - PubMed (21848268) EtOH extract of frozen sponge
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)
Monanchocidin A, rel- (CHEBI:69398) has role metabolite (CHEBI:25212)
Monanchocidin A, rel- (CHEBI:69398) is a organic molecular entity (CHEBI:50860)
Citations