(Q104923522)

English

(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2E)-11-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal

1 reference

based on heuristic

inferred from SMILES

11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal

1 reference

based on heuristic

inferred from SMILES

mass

326.2245802 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,4Z,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₂

0 references

canonical SMILES

O=CC=CC=C(C=CC=C(C=CC1=C(C)CC(O)CC1(C)C)C)C

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isomeric SMILES

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

0 references

found in taxon

Capsicum annuum

1 reference

stated in

Isolation of a series of apocarotenoids from the fruits of the red paprika Capsicum annuum L.

Identifiers

InChI

InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1

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InChIKey

BCNPTKKIVMTZFO-UWYNECTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BCNPTKKIVMTZFO-UWYNECTCSA-N

ChEBI ID

143060

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1

1 reference

Human Metabolome Database ID

HMDB0302024

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BCNPTKKIVMTZFO-UWYNECTCSA-N

(Q104923522)

(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal

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