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6-{[6,7-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0?,??.0?,?.0??,??]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-15-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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CHEBI:168451 |
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This entity has been manually annotated by a third party.
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MetaboLights
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Molfile
XML
SDF
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InChI=1S/C36H38O13/c1-14(2)7-8-16-29-17(9-10-36(5,6)49-29)31(47-35-28(42)26(40)27(41)33(48-35)34(43)44)24-25(39)23-22(11-15(3)4)45-21-13-20(38)19(37)12-18(21)32(23)46-30(16)24/h7,9-13,22,26-28,33,35,37-38,40-42H,8H2,1-6H3,(H,43,44) |
PGYZHQBXOJLLRA-UHFFFAOYSA-N |
O1C(OC2=C3C(OC4=C(C3=O)C(OC=5C4=CC(O)=C(O)C5)C=C(C)C)=C(C=6OC(C=CC26)(C)C)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O |
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Malus domestica
(NCBI:txid3750)
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Found in
exocarp
(BTO:0000733).
of strain
Malus x domestica Borkh. cv. Ruixue
See:
MetaboLights Study
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Outgoing
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6-{[6,7-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0?,??.0?,?.0??,??]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-15-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(CHEBI:168451)
is a
extended flavonoid
(CHEBI:71037)
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6-[[6,7-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,14,16(21),17-octaen-15-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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