(Q104975462)

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-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(5Z)-5-[(2E,4E)-9-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-7-methylnona-2,4,6-trien-8-yn-1-ylidene]-3-[2-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)ethenyl]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

548.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₄O₆

0 references

canonical SMILES

O=C1OC(=CC=CC=CC=C(C#CC2=C(C)CC(O)CC2(C)C)C)C=C1C=CC3(O)C(O)(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@@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)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/C34H44O6/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)40-28)16-17-34(39)32(5,6)21-27(36)22-33(34,7)38/h8-13,16-17,19,26-27,35-36,38-39H,18,20-22H2,1-7H3/b10-8+,11-9+,17-16+,23-12+,28-13-/t26-,27+,33-,34-/m1/s1

0 references

InChIKey

DCKASVXEXOVCAV-UIIXDQGDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCKASVXEXOVCAV-UIIXDQGDSA-N

(Q104975462)

(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-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]furan-2-one

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Identifiers

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