Q105264982

chemical compound

Wikidata entity: Q105264982

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 ... Q139182 (Aplysina aerophoba) Aplysina aerophoba
P703 found in taxon ... Q2345865 (Verongula gigantea) Verongula gigantea
P703 found in taxon ... Q2600449 (Aiolochroia crassa) Aiolochroia crassa
P703 found in taxon ... Q3380794 (Aplysina cauliformis) Aplysina cauliformis
P703 found in taxon ... Q3518062 (Agelas oroides) Agelas oroides
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NC[C@H](O)COc1c(Br)cc([C@@H](O)CNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)cc1Br)=NO2 ???
P3364 stereoisomer of ... Q105264975 (???) ???
P3364 stereoisomer of ... Q105264977 (???) ???
P3364 stereoisomer of ... Q105264981 (???) ???
P279 subclass of ... Q104197842 (Isofistularin-3) Isofistularin-3
P279 subclass of ... Q104401691 (CID 10260646) CID 10260646
P279 subclass of ... Q105264973 (Fistularin 3) Fistularin 3

External Ids
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-SVWNRAJFSA-N
P662PubChem CID162931903

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