(Q105310518)

English

(5Z)-5-[(2E,4E,6E)-9-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7-methylnona-2,4,6-trien-8-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5Z)-3-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)-5-[(2E,4E)-9-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-7-methylnona-2,4,6-trien-8-yn-1-ylidene]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

530.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₅

0 references

canonical SMILES

O=C1OC(=CC=CC=CC=C(C#CC2=C(C)CC(O)CC2(C)C)C)C=C1C=CC34OC4(C)CC(O)CC3(C)C

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isomeric SMILES

CC1=C(C#C/C(C)=C/C=C/C=C/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1

0 references

found in taxon

Mytilus edulis

1 reference

stated in

Animal carotenoids. 32. Carotenoids of Mytilus edulis (edible mussel)

Identifiers

InChI

InChI=1S/C34H42O5/c1-23(14-15-29-24(2)18-26(35)20-31(29,3)4)12-10-8-9-11-13-28-19-25(30(37)38-28)16-17-34-32(5,6)21-27(36)22-33(34,7)39-34/h8-13,16-17,19,26-27,35-36H,18,20-22H2,1-7H3/b10-8 ,11-9 ,17-16 ,23-12 ,28-13-/t26-,27 ,33-,34 /m1/s1

0 references

InChIKey

WQEFVLKBIJIISG-CUHYFCIZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WQEFVLKBIJIISG-CUHYFCIZSA-N

(Q105310518)

(5Z)-5-[(2E,4E,6E)-9-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7-methylnona-2,4,6-trien-8-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one

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Identifiers

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