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(Q105306928)
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English
4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-8-hydroxy-12,12-dimethyl-13-(3-methylbut-2-en-1-yl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-6-one
group of stereoisomers with the chemical formula C₃₉H₃₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,3,6-trimethylheptane monoterpenoid
1 reference
inferred from
2,3,6-trimethylheptane monoterpenoid
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
3',8C-substituted flavanone
1 reference
inferred from
3',8C-substituted flavanone
mass
650.2515827960002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₃₈O₉
0 references
canonical SMILES
O=C1C2=C(O)C=C3OC(C)(C)C(CC=C(C)C)CC3=C2OC(C=4C=C5C(OC(C6=CC=C(O)C=C6)C5C=7C=C(O)C=C(O)C7)=CC4O)C1
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Identifiers
InChI
InChI=1S/C39H38O9/c1-19(2)5-8-22-13-28-34(48-39(22,3)4)18-31(45)36-30(44)17-32(47-38(28)36)26-15-27-33(16-29(26)43)46-37(20-6-9-23(40)10-7-20)35(27)21-11-24(41)14-25(42)12-21/h5-7,9-12,14-16,18,22,32,35,37,40-43,45H,8,13,17H2,1-4H3
0 references
InChIKey
WJMIBUBZXMRJRI-UHFFFAOYSA-N
0 references
PubChem CID
15719491
1 reference
matched by identifier from
InChIKey
InChIKey
WJMIBUBZXMRJRI-UHFFFAOYSA-N
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