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(Q82948016)
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English
4,5-Didehydro-5,6,7',8'-tetrahydro-beta,psi-carotene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
carotenoid
1 reference
based on heuristic
inferred from SMILES
mass
538.453851856
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
alpha-Zeacarotene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₄₀H₅₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CCCC1(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C@H]1C(C)=CCCC1(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/t39-/m0/s1
0 references
InChIKey
IGABZIVJSNQMPZ-KDXMTYKHSA-N
0 references
CAS Registry Number
514-89-6
0 references
PubChem CID
170884
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IGABZIVJSNQMPZ-KDXMTYKHSA-N
UniChem compound ID
186462082
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70965713
1 reference
matched by identifier from
InChIKey
InChIKey
IGABZIVJSNQMPZ-KDXMTYKHSA-N
DSSTOX compound identifier
DTXCID501393376
0 references
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