(Q125617657)

English

methyl (4S)-4-(3-bromo-4-hydroxyphenyl)-2,4-bis(3,5-dibromo-4-hydroxyphenyl)-3,5-dioxocyclopentene-1-carboxylate

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

819.6578132560002 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₁₃Br₅O₇

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canonical SMILES

O=C(OC)C=1C(=O)C(C(=O)C1C=2C=C(Br)C(O)=C(Br)C2)(C3=CC=C(O)C(Br)=C3)C4=CC(Br)=C(O)C(Br)=C4

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isomeric SMILES

COC(=O)C1=C(c2cc(Br)c(O)c(Br)c2)C(=O)[C@](c2ccc(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)C1=O

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found in taxon

Synoicum

1 reference

stated in

Isocadiolides A-H: Polybrominated Aromatics from a Synoicum sp. Ascidian

Identifiers

InChI

InChI=1S/C25H13Br5O7/c1-37-24(36)19-18(9-4-13(27)20(32)14(28)5-9)22(34)25(23(19)35,10-2-3-17(31)12(26)6-10)11-7-15(29)21(33)16(30)8-11/h2-8,31-33H,1H3/t25-/m0/s1

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InChIKey

KKPOUVYARLBMAD-VWLOTQADSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

KKPOUVYARLBMAD-VWLOTQADSA-N

(Q125617657)

methyl (4S)-4-(3-bromo-4-hydroxyphenyl)-2,4-bis(3,5-dibromo-4-hydroxyphenyl)-3,5-dioxocyclopentene-1-carboxylate

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