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CHEBI:69402 - Monanchocidin E, rel-

Default Structure
ChEBI IDCHEBI:69402
ChEBI NameMonanchocidin E, rel-
Stars
DefinitionA natural product found in Monanchora pulchra.
DownloadsMolfile
FormulaC2F3O2.C46H81N6O8
Net Charge0
Average Mass959.202
Monoisotopic Mass958.59663
SMILESO=C([O-])C(F)(F)F.[H][C@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCC[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/C46H80N6O8.C2HF3O2/c1-4-6-20-36-25-27-44(59-36)32-34-23-24-37-39(45(26-17-19-33(3)58-45)50-43(49-44)52(34)37)41(54)57-35(5-2)21-15-13-11-9-7-8-10-12-14-16-22-38-40(53)51(31-18-29-47)42(55)46(56,60-38)28-30-48;3-2(4,5)1(6)7/h6,20,33-39,42,55-56H,4-5,7-19,21-32,47-48H2,1-3H3,(H,49,50);(H,6,7)/b20-6+;/t33-,34+,35?,36+,37-,38-,39-,42-,44+,45-,46+;/m0./s1
InChIKeyCGSPIRSDEUJHCF-OBPUHCEQSA-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 E, rel- (CHEBI:69402) has role metabolite (CHEBI:25212)
Monanchocidin E, rel- (CHEBI:69402) is a organic molecular entity (CHEBI:50860)
Citations