Fistularin 3

group of stereoisomers with the chemical formula C₃₁H₃₀Br₆N₄O₁₁

Wikidata entity: Q105264973

C₃₁H₃₀Br₆N₄O₁₁ (P274)



Quantities

P2067mass1107.70113038

P233 canonical SMILES String O=C(NCC(O)C1=CC(Br)=C(OCC(O)CNC(=O)C2=NOC3(C=C(Br)C(OC)=C(Br)C3O)C2)C(Br)=C1)C4=NOC5(C=C(Br)C(OC)=C(Br)C5O)C4 ???
P703 found in taxon ... Q26279368 (Pseudovibrio denitrificans) Pseudovibrio denitrificans
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCC(O)COc1c(Br)cc(C(O)CNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)cc1Br)=NO2 ???
P279 subclass of ... Q82985325 ((6R)-7,9-Dibromo-N-[3-[2,6-dibromo-4-[2-[[(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) (6R)-7,9-Dibromo-N-[3-[2,6-dibromo-4-[2-[[(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

External Ids
P683ChEBI ID206609
P234InChIInChI=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
P235InChIKeyTURTULDFIIAPTC-CJQKJACMSA-N
P7746Natural Product Atlas IDNPA022172
P662PubChem CID159041
P2877SureChEMBL ID30627930
P11089UniChem compound ID33394572

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