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CHEBI:69399 - Monanchocidin B, rel-

Default Structure
ChEBI IDCHEBI:69399
ChEBI NameMonanchocidin B, rel-
Stars
DefinitionA natural product found in Monanchora pulchra.
DownloadsMolfile
FormulaC2F3O2.C45H79N6O8
Net Charge0
Average Mass945.175
Monoisotopic Mass944.58098
SMILESO=C([O-])C(F)(F)F.[H][C@]12CC[C@@]3([H])[C@@H](C(=O)OCCCCCCCCCCCCCC[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/C45H78N6O8.C2HF3O2/c1-3-35-21-15-16-25-43(58-35)32-34-23-24-36-38(44(26-18-20-33(2)57-44)49-42(48-43)51(34)36)40(53)56-31-17-13-11-9-7-5-4-6-8-10-12-14-22-37-39(52)50(30-19-28-46)41(54)45(55,59-37)27-29-47;3-2(4,5)1(6)7/h15,21,33-38,41,54-55H,3-14,16-20,22-32,46-47H2,1-2H3,(H,48,49);(H,6,7)/t33-,34+,35+,36-,37-,38-,41-,43+,44-,45+;/m0./s1
InChIKeyJUYJTWWVQUBXQS-MJWABNJBSA-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 B, rel- (CHEBI:69399) has role metabolite (CHEBI:25212)
Monanchocidin B, rel- (CHEBI:69399) is a organic molecular entity (CHEBI:50860)
Citations