Q105264981

chemical compound

Wikidata entity: Q105264981

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 ... Q2539618 (Aplysina fistularis) Aplysina fistularis
P703 found in taxon ... Q2621060 (Aplysina caissara) Aplysina caissara
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)c1cc(Br)c(OC[C@@H](O)CNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)c(Br)c1)=NO2 ???
P3364 stereoisomer of ... Q105264975 (???) ???
P3364 stereoisomer of ... Q105264977 (???) ???
P3364 stereoisomer of ... Q105264982 (???) ???
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
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-REJWSJSOSA-N
P662PubChem CID162931898

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