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conechinocarpic acid
SpectraBase Compound ID Hs3BPrRuJA
InChI InChI=1S/C20H20O9/c1-8-5-12(26-3)9(2)16(21)14(8)19(24)28-7-11-13(27-4)6-10-15(17(11)22)20(25)29-18(10)23/h5-6,18,21-23H,7H2,1-4H3
InChIKey NYMLDQLMTURXIA-UHFFFAOYSA-N
Mol Weight 404.37 g/mol
Molecular Formula C20H20O9
Exact Mass 404.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BXdJnLRMgS
Name conechinocarpic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O9
InChI InChI=1S/C20H20O9/c1-8-5-12(26-3)9(2)16(21)14(8)19(24)28-7-11-13(27-4)6-10-15(17(11)22)20(25)29-18(10)23/h5-6,18,21-23H,7H2,1-4H3
InChIKey NYMLDQLMTURXIA-UHFFFAOYSA-N
Molecular Weight 404.371 g/mol
SMILES Oc1c2c(C(OC2=O)O)cc(c1COC(c1c(c(C)c(cc1C)OC)O)=O)OC
SPLASH splash10-0gw0-0900000000-fcb4b6575d7ada6b5a30
Source of Spectrum JA-49-727-0
Synonyms (1,4-dihydroxy-6-methoxy-3-oxo-1,3-dihydro-2-benzofuran-5-yl)methyl 2-hydroxy-4-methoxy-3,6-dimethylbenzoate
Wiley ID 1371156