aerothionin (Q27138177)

CHEBI:69838 (English)

7 October 2016

canonical SMILES

COC1=C(C(C2(CC(=NO2)C(=O)NCCCCNC(=O)C3=NOC4(C3)C=C(C(=C(C4O)Br)OC)Br)C=C1Br)O)Br

1 reference

CHEBI:69838 (English)

7 October 2016

isomeric SMILES

COC1=C([C@@H]([C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C3=NO[C@@]4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br

1 reference

Recent research in marine natural products from the Red Sea

CHEBI:69838 (English)

7 October 2016

2 references

Hemifistularin 3: a degraded peptide or biogenetic precursor? Isolation from a sponge of the order verongida from the coral sea or generation from base treatment of 11-oxofistularin 3

Aplysina gerardogreeni

3 references

Calafianin, a bromotyrosine derivative from the marine sponge Aplysina gerardogreeni

Cytotoxic dibromotyrosine-derived metabolites from the sponge Aplysina gerardogreeni.

Cytotoxic Dibromotyrosine-Derived Metabolites from the Sponge Aplysina gerardogreeni.

Himerometra magnipinna

1 reference

Bioactive constituents from the marine crinoid Himerometra magnipinna.

Suberea mollis

3 references

Bioactive brominated metabolites from the red sea sponge Suberea mollis.

Brominated arginine-derived alkaloids from the red sea sponge Suberea mollis.

Brominated arginine-derived alkaloids from the red sea sponge Suberea mollis.

Aplysina cavernicola

2 references

Chemistry of verongida sponges VIII1-bromocompounds from the mediterranean sponges Aplysina aerophoba and Aplysina cavernicola

Diving into the Molecular Diversity of Aplysina cavernicola’s Exometabolites: Contribution of Bromo-Spiroisoxazoline Alkaloids

Aplysina insularis

1 reference

Chemistry of verongida sponges VI. Comparison of the secondary metabolic composition of Aplysina insularis and Aplysina fulva

Aplysina lacunosa

1 reference

11-oxoaerothionin: a cytotoxic antitumor bromotyrosine-derived alkaloid from the Caribbean marine sponge Aplysina lacunosa

Pseudoceratina durissima

1 reference

Chemistry of Sponges, VII. 11,19-Dideoxyfistularin 3 and 11-Hydroxyaerothionin, Bromotyrosine Derivatives from Pseudoceratina durissima

Tylodina perversa

1 reference

Organ-specific distribution of dietary alkaloids in the marine opisthobranch Tylodina perversa

Verongia

1 reference

Hemifistularin 3: a degraded peptide or biogenetic precursor? Isolation from a sponge of the order verongida from the coral sea or generation from base treatment of 11-oxofistularin 3

Himerometra robustipinna

1 reference

Bioactive constituents from the marine crinoid Himerometra magnipinna.

Pseudoceratina purpurea

1 reference

A new dibromotyrosine-derived metabolite from the sponge Psammalplysilla purpurea

Identifiers

InChI

InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1

1 reference

CHEBI:69838 (English)

BJWQSQOWGBUSFC-UWXQAFAOSA-N

7 October 2016

InChIKey

2 references

CHEBI:69838 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(5S,10R,5'S,10'R)-N,N'-1,4-Butanediylbis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide) (English)

7 October 2016

2 references

CHEBI:69838 (English)

matched by identifier from

7 October 2016

InChIKey

BJWQSQOWGBUSFC-UWXQAFAOSA-N

ChEBI ID

69838

mapping relation type

2 references

aerothionin (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1

1 reference