(Q105190386)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

biogenic aliphatic hydrocarbon

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carotenoid

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mass

536.438201792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆

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canonical SMILES

C(=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C

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isomeric SMILES

CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

1 reference

1 reference

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11?,19-13+,20-14?,27-25+,28-26?,31-17?,32-18?,33-21+,34-22?

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InChIKey

OENHQHLEOONYIE-GNWUCDCQSA-N

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(Q105190386)

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

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