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(2'E,6'E,10'E)-2-[1'-13C]Geranylgeranyl-3,4-dihydroxybenzoic acid
SpectraBase Compound ID 8LiG6caMpwp
InChI InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-24(27(30)31)17-18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+/i16+1
InChIKey NKKHRAYVSYCDDJ-MMEMDWSXSA-N
Mol Weight 427.6 g/mol
Molecular Formula C2613CH38O4
Exact Mass 427.280365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ArI7qYTeit
Name (2'E,6'E,10'E)-2-[1'-13C]Geranylgeranyl-3,4-dihydroxybenzoic acid
Comments Original formula: C26[13C]H38O4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-24(27(30)31)17-18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+/i16+1
InChIKey NKKHRAYVSYCDDJ-MMEMDWSXSA-N
Molecular Weight 427.589 g/mol
SMILES OC(c1c(c(c(cc1)O)O)[13CH2]\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)=O
SPLASH splash10-066r-4950000000-f412ef7b2065a9323b5c
Source of Spectrum C5-2005-1026-23
Wiley ID 1618273