EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69400 - Monanchocidin C, rel-

Default Structure
ChEBI IDCHEBI:69400
ChEBI NameMonanchocidin C, 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)OCCCCCCCCCCCCCCC[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(CCC=C[C@@H](CC)O1)C2
InChIInChI=1S/C46H80N6O8.C2HF3O2/c1-3-36-22-16-17-26-44(59-36)33-35-24-25-37-39(45(27-19-21-34(2)58-45)50-43(49-44)52(35)37)41(54)57-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-38-40(53)51(31-20-29-47)42(55)46(56,60-38)28-30-48;3-2(4,5)1(6)7/h16,22,34-39,42,55-56H,3-15,17-21,23-33,47-48H2,1-2H3,(H,49,50);(H,6,7)/t34-,35+,36+,37-,38-,39-,42-,44+,45-,46+;/m0./s1
InChIKeyCOZDWYBYRYTRHA-ATHQDEDUSA-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 C, rel- (CHEBI:69400) has role metabolite (CHEBI:25212)
Monanchocidin C, rel- (CHEBI:69400) is a organic molecular entity (CHEBI:50860)
Citations