(Q105180647)

English

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

instance of

type of chemical entity

0 references

subclass of

5-[11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[2-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)ethenyl]furan-2-one

1 reference

based on heuristic

inferred from SMILES

Hydratopyrrhoxanthinol

1 reference

based on heuristic

inferred from SMILES

mass

588.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₈O₆

0 references

canonical SMILES

O=C1OC(C=C1C=CC2(O)C(O)(C)CC(O)CC2(C)C)=CC(=CC=CC=CC=C(C#CC3=C(C)CC(O)CC3(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=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/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30-,36+,37+/m0/s1

0 references

InChIKey

NKLWCOIOKXMOKC-XCSQQPIVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKLWCOIOKXMOKC-XCSQQPIVSA-N

(Q105180647)

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