(Q105195624)

English

(6S)-6-hydroxy-2,4,4-trimethyl-3-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

580.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6R)-6-hydroxy-2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

1 reference

1 reference

C₄₀H₅₂O₃

0 references

canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C(=O)C(O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1)C

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isomeric SMILES

CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)(C)C[C@H](O)C1=O

0 references

found in taxon

Adonis annua

1 reference

stated in

Die ketocarotinoide in Adonis annua L.

Phaffia rhodozyma

1 reference

stated in

Carotenoids of Phaffia rhodozyma, a red-pigmented fermenting yeast

Rhizobium lupini

1 reference

stated in

Carotenoids of Rhizobia. IV. Isolation and structure elucidation of the carotenoids of a mutant ofRhizobium lupini

Arabidopsis thaliana

1 reference

stated in

Synthesis of ketocarotenoids in the seed of Arabidopsis thaliana

Xanthophyllomyces dendrorhous

1 reference

stated in

Carotenoids of Phaffia rhodozyma, a red-pigmented fermenting yeast

Bradyrhizobium

1 reference

stated in

Carotenoids of Rhizobia. IV. Isolation and structure elucidation of the carotenoids of a mutant ofRhizobium lupini

Identifiers

InChI

InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11 ,17-13 ,18-14 ,23-21 ,24-22-,28-15 ,29-16 ,30-19 ,31-20 /t37-/m0/s1

0 references

InChIKey

OOUTWVMJGMVRQF-WEUMLELHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OOUTWVMJGMVRQF-WEUMLELHSA-N

(Q105195624)

(6S)-6-hydroxy-2,4,4-trimethyl-3-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

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Identifiers

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