(Q72453970)

English

Furo(3,4-b)(1)benzoxepin, 7-bromo-1,3,3a,4a,5,6,7,8,8a,9-decahydro-4a,8,8-trimethyl-, (3aR,4aS,7S,8aS)-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

cyclofarnesoid

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mass

314.088142076 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₃BrO₂

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canonical SMILES

BrC1CCC2(OC3C(=CCC2C1(C)C)COC3)C

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isomeric SMILES

CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COCC3=CC[C@@H]12

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found in taxon

Laurencia intricata

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stated in

New Sesquiterpenes and C15Acetogenins from the Marine Red Alga Laurencia implicata

Laurencia flexilis

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stated in

Five New Sesquiterpenes from the Red Alga Laurencia flexilis

Laurencia

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stated in

New bromoterpenes from the red alga Laurencia luzonensis

stated in

Terpenoids from Laurencia karlae

Laurencia saitoi

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stated in

Sesquiterpenes from the Marine Red AlgaLaurencia saitoi

Laurencia similis

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stated in

Sesquiterpenes from Laurencia similis.

Identifiers

InChI

InChI=1S/C15H23BrO2/c1-14(2)12-5-4-10-8-17-9-11(10)18-15(12,3)7-6-13(14)16/h4,11-13H,5-9H2,1-3H3/t11-,12-,13-,15-/m0/s1

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InChIKey

DDKCCVWYONKPQR-ABHRYQDASA-N

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26 December 2021

matched by identifier from

InChIKey

DDKCCVWYONKPQR-ABHRYQDASA-N

1 reference

1 reference

matched by identifier from

InChIKey

DDKCCVWYONKPQR-ABHRYQDASA-N

DSSTOX compound identifier

DTXCID60150474

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(Q72453970)

Furo(3,4-b)(1)benzoxepin, 7-bromo-1,3,3a,4a,5,6,7,8,8a,9-decahydro-4a,8,8-trimethyl-, (3aR,4aS,7S,8aS)-

Statements

Identifiers

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