CHEBI:69399 - Monanchocidin B, rel-

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ChEBI Name Monanchocidin B, rel-
ChEBI ID CHEBI:69399
Definition A natural product found in Monanchora pulchra.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C47H79F3N6O10
Net Charge 0
Average Mass 945.15960
Monoisotopic Mass 944.58098
InChI InChI=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
InChIKey JUYJTWWVQUBXQS-MJWABNJBSA-N
SMILES [O-]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[C@@]4(CCC=C[C@@H](CC)O4)C1)=[N+]23
Metabolite of Species Details
Monanchora pulchra (WORMS:169022) EtOH extract of frozen sponge See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Monanchocidin B, rel- (CHEBI:69399) has role metabolite (CHEBI:25212)
Monanchocidin B, rel- (CHEBI:69399) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21848268 PubMed citation Europe PMC