CHEBI:206609 - Fistularin-3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fistularin-3
ChEBI ID CHEBI:206609
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H30Br6N4O11
Net Charge 0
Average Mass 1114.022
Monoisotopic Mass 1107.70114
InChI InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t13?,20?,26-,27-,30+,31+/m0/s1
InChIKey TURTULDFIIAPTC-CJQKJACMSA-N
SMILES BrC=1C(OC)=C(Br)[C@H](O)[C@]2(C1)ON=C(C2)C(=O)NCC(O)C3=CC(Br)=C(OCC(O)CNC(=O)C4=NO[C@@]5(C4)C=C(Br)C(OC)=C([C@@H]5O)Br)C(=C3)Br
Metabolite of Species Details
Pseudovibrio (NCBI:txid258255) See: PubMed
ChEBI Ontology
Outgoing Fistularin-3 (CHEBI:206609) is a aromatic ether (CHEBI:35618)
IUPAC Name
(5S,6R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Manual Xref Database
139890 ChemSpider
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