(Q104907948)

English

2-{4,6-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phenyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione

chemical compound

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instance of

type of chemical entity

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subclass of

biogenic alkylphenol

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farnesane sesquiterpenoid

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alkylhydroquinone

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mass

668.44407502 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₆₀O₅

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canonical SMILES

O=C1C(O)=C(C(=O)C(C=2C(O)=CC(O)=C(C2C)CC=C(C)CCC=C(C)CCC=C(C)C)=C1C)CC=C(C)CCC=C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(O)C(=O)C(C)=C(c2c(O)cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c2C)C1=O

1 reference

1 reference

Meroterpenoid pigments from the basidiomycete Albatrellus ovinus

Identifiers

InChI

InChI=1S/C44H60O5/c1-28(2)15-11-17-30(5)19-13-21-32(7)23-25-36-34(9)40(39(46)27-38(36)45)41-35(10)42(47)44(49)37(43(41)48)26-24-33(8)22-14-20-31(6)18-12-16-29(3)4/h15-16,19-20,23-24,27,45-46,49H,11-14,17-18,21-22,25-26H2,1-10H3/b30-19+,31-20+,32-23+,33-24+

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InChIKey

AAJBNCIQOCECIN-OAEQVLRSSA-N

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(Q104907948)

2-{4,6-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phenyl}-5-hydroxy-3-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]cyclohexa-2,5-diene-1,4-dione

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