(Q104399033)

English

bartericin C

group of stereoisomers with the chemical formula C₂₅H₂₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

3,3'C-substituted chalcone

1 reference

inferred from

3,3'C-substituted chalcone

1 reference

1 reference

408.1936739959999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₅

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canonical SMILES

O=C(C=CC1=CC=C2OC(C)(C)CCC2=C1)C=3C=C4C(OC(C4)C(O)(C)C)=CC3O

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isomeric SMILES

CC1(C)CCc2cc(/C=C/C(=O)c3cc4c(cc3O)OC(C(C)(C)O)C4)ccc2O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H28O5/c1-24(2)10-9-16-11-15(6-8-21(16)30-24)5-7-19(26)18-12-17-13-23(25(3,4)28)29-22(17)14-20(18)27/h5-8,11-12,14,23,27-28H,9-10,13H2,1-4H3/b7-5+

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InChIKey

YSOHJTIJBIMQNH-FNORWQNLSA-N

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1 reference

26 December 2021

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H28O5/c1-24(2)10-9-16-11-15(6-8-21(16)30-24)5-7-19(26)18-12-17-13-23(25(3,4)28)29-22(17)14-20(18)27/h5-8,11-12,14,23,27-28H,9-10,13H2,1-4H3/b7-5+

1 reference

1 reference

YSOHJTIJBIMQNH-FNORWQNLSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q104399033)

bartericin C

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