CHEBI:69402 - Monanchocidin E, rel-

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ChEBI Name Monanchocidin E, rel-
ChEBI ID CHEBI:69402
Definition A natural product found in Monanchora pulchra.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C48H81F3N6O10
Net Charge 0
Average Mass 959.18610
Monoisotopic Mass 958.59663
InChI InChI=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
InChIKey CGSPIRSDEUJHCF-OBPUHCEQSA-N
SMILES [O-]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[C@@]4(CC[C@H](O4)\C=C\CC)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.
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ChEBI Ontology
Outgoing Monanchocidin E, rel- (CHEBI:69402) has role metabolite (CHEBI:25212)
Monanchocidin E, rel- (CHEBI:69402) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21848268 PubMed citation Europe PMC