(Q105000715)

English

(3aR,7aS)-4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-3a,5,6,7-tetrahydro-1-benzofuran

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

carotenoid

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mass

552.433116412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O

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canonical SMILES

O1C(=CC2C1(C)CCCC2(C)C)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC3=C(C)CCCC3(C)C)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=C(C)/C=C/C=C(\C)C2=C[C@@H]3C(C)(C)CCC[C@]3(C)O2)C(C)(C)CCC1

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found in taxon

Passiflora edulis

1 reference

stated in

Carotenoids from Yellow Passion Fruit (Passifloraedulis)

Mangifera indica

1 reference

stated in

CAROTENOIDS IN 3 STAGES OF RIPENING OF MANGO

Identifiers

InChI

InChI=1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,37H,15-16,23,26-28H2,1-10H3/b12-11 ,19-13 ,21-14 ,25-24 ,30-17 ,31-18 ,32-20 ,34-22 /t37-,40 /m1/s1

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InChIKey

FSLLIPKSVXRYJI-VNVZEURYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FSLLIPKSVXRYJI-VNVZEURYSA-N

(Q105000715)

(3aR,7aS)-4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-3a,5,6,7-tetrahydro-1-benzofuran

Statements

Identifiers

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