CHEBI:69398 - Monanchocidin A, rel-

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ChEBI Name Monanchocidin A, rel-
ChEBI ID CHEBI:69398
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 C49H83F3N6O10
Net Charge 0
Average Mass 973.21270
Monoisotopic Mass 972.61228
InChI InChI=1S/C47H82N6O8.C2HF3O2/c1-4-6-21-37-26-28-45(60-37)33-35-24-25-38-40(46(27-18-20-34(3)59-46)51-44(50-45)53(35)38)42(55)58-36(5-2)22-16-14-12-10-8-7-9-11-13-15-17-23-39-41(54)52(32-19-30-48)43(56)47(57,61-39)29-31-49;3-2(4,5)1(6)7/h6,21,34-40,43,56-57H,4-5,7-20,22-33,48-49H2,1-3H3,(H,50,51);(H,6,7)/b21-6+;/t34-,35+,36?,37+,38-,39-,40-,43-,45+,46-,47+;/m0./s1
InChIKey AGJOOKRGJXJXTE-SAAFPTPOSA-N
SMILES [O-]C(=O)C(F)(F)F.[H][C@@]12CC[C@@]3([H])[C@@H](C(=O)OC(CC)CCCCCCCCCCCCC[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 A, rel- (CHEBI:69398) has role metabolite (CHEBI:25212)
Monanchocidin A, rel- (CHEBI:69398) is a organic molecular entity (CHEBI:50860)
Citation Waiting for Citations Type Source
21848268 PubMed citation Europe PMC