(Q104989019)

English

3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-6,6-dimethyl-1-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

group of stereoisomers with the chemical formula C₃₈H₅₀O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

602.36073932 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₀O₆

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canonical SMILES

O=C1C(=C(O)C2=CC=C(O)C(O)=C2)C(=O)C3(C(=O)C1(CC(C(=C)C)CC=C(C)C)CC(CC=C(C)C)C3(C)C)CC=C(C)C

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Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3

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InChIKey

DTTONLKLWRTCAB-UHFFFAOYSA-N

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PubChem CID

3531

1 reference

based on heuristic

inferred from InChIKey

1 reference

Human Metabolome Database ID

HMDB0252641

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DTTONLKLWRTCAB-UHFFFAOYSA-N

(Q104989019)

3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-6,6-dimethyl-1-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione

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