(Q105215826)

English

7-[[(2E,6E,9S,10R)-3,7,11-Trimethyl-9,10,11-trihydroxy-2,6-dodecadienyl]oxy]-2H-1-benzopyran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic coumarin

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farnesane sesquiterpenoid

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mass

416.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₆

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canonical SMILES

O=C1OC=2C=C(OCC=C(C)CCC=C(C)CC(O)C(O)C(O)(C)C)C=CC2C=C1

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isomeric SMILES

C/C(=C\COc1ccc2ccc(=O)oc2c1)CC/C=C(\C)C[C@H](O)[C@@H](O)C(C)(C)O

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found in taxon

Heptaptera anisoptera

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stated in

Sesquiterpene coumarin ethers from the genus Heptaptera

stated in

Coumarins from Heptaptera anisoptera

Identifiers

InChI

InChI=1S/C24H32O6/c1-16(6-5-7-17(2)14-20(25)23(27)24(3,4)28)12-13-29-19-10-8-18-9-11-22(26)30-21(18)15-19/h7-12,15,20,23,25,27-28H,5-6,13-14H2,1-4H3/b16-12+,17-7+/t20-,23+/m0/s1

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InChIKey

PWGFIVDGCMQGCD-FAWRFFSBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PWGFIVDGCMQGCD-FAWRFFSBSA-N

1 reference

(Q105215826)

7-[[(2E,6E,9S,10R)-3,7,11-Trimethyl-9,10,11-trihydroxy-2,6-dodecadienyl]oxy]-2H-1-benzopyran-2-one

Statements

Identifiers

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