(Q105141359)

English

Psammaplysin C

group of stereoisomers with the chemical formula C₂₂H₂₅Br₄N₃O₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

phenethylamine alkaloid

1 reference

inferred from

phenethylamine alkaloid

spirobenzoxazoline alkaloid

1 reference

inferred from

spirobenzoxazoline alkaloid

mass

758.84259854 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₅Br₄N₃O₇

0 references

canonical SMILES

O=C(NCCCOC1=C(Br)C=C(C=C1Br)C(O)CNC)C2=NOC3(OC=C(Br)C(OC)=C(Br)C3)C2O

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isomeric SMILES

CNCC(O)c1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1

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found in taxon

Aplysinella

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stated in

Psammaplysin F, a new bromotyrosine derivative from a sponge, Aplysinella sp

Pseudoceratina purpurea

1 reference

stated in

Psammaplysin C: a new cytotoxic dibromotyrosine-derived metabolite from the marine sponge Druinella (= Psammaplysilla) purpurea

Identifiers

InChI

InChI=1S/C22H25Br4N3O7/c1-27-9-16(30)11-6-12(23)19(13(24)7-11)34-5-3-4-28-21(32)17-20(31)22(36-29-17)8-14(25)18(33-2)15(26)10-35-22/h6-7,10,16,20,27,30-31H,3-5,8-9H2,1-2H3,(H,28,32)/t16?,20-,22-/m0/s1

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InChIKey

KHWOJHLZIWAPIG-OIGSQQCRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KHWOJHLZIWAPIG-OIGSQQCRSA-N

1 reference

(Q105141359)

Psammaplysin C

Statements

Identifiers

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