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Quercetagetin-3,6,4'-trimethoxy-7-O-neo-hesperidoside
SpectraBase Compound ID 97tCFUVkAgW
InChI InChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-13(40-2)12(32)7-11/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3
InChIKey BVMIXLLPNDZDHI-UHFFFAOYSA-N
Mol Weight 668.6 g/mol
Molecular Formula C30H36O17
Exact Mass 668.19525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRxwue54woi
Name Quercetagetin-3,6,4'-trimethoxy-7-O-neo-hesperidoside
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O17
InChI InChI=1S/C30H36O17/c1-10-18(33)22(37)24(39)29(43-10)47-28-23(38)19(34)16(9-31)46-30(28)45-15-8-14-17(20(35)26(15)41-3)21(36)27(42-4)25(44-14)11-5-6-13(40-2)12(32)7-11/h5-8,10,16,18-19,22-24,28-35,37-39H,9H2,1-4H3
InChIKey BVMIXLLPNDZDHI-UHFFFAOYSA-N
Molecular Weight 668.601 g/mol
SMILES Oc1c(c(OC2C(OC3C(C(C(C(O3)C)O)O)O)C(C(C(O2)CO)O)O)cc2OC(=C(C(c12)=O)OC)c1cc(O)c(cc1)OC)OC
SPLASH splash10-08fr-0009000000-700f0600a5534dd7ca8b
Source of Spectrum I-86-897-38
Wiley ID 1691544