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ARISTOLIC_ACID_I
SpectraBase Compound ID KryItmQVrMP
InChI InChI=1S/C17H12O5/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H,18,19)
InChIKey WNMKOPJJPJHXJX-UHFFFAOYSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpeaWIcskKk
Name Aristolic acid
Alternate Name(s) 8-Methoxy-5-naphtho[2,1-g][1,3]benzodioxolecarboxylic acid
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Formula C17H12O5
InChI InChI=1S/C17H12O5/c1-20-13-4-2-3-10-9(13)5-6-11-12(17(18)19)7-14-16(15(10)11)22-8-21-14/h2-7H,8H2,1H3,(H,18,19)
InChIKey WNMKOPJJPJHXJX-UHFFFAOYSA-N
Molecular Weight 296.278 g/mol
SMILES OC(c1c2c(c3c(cc2)c(OC)ccc3)c2c(c1)OCO2)=O
SPLASH splash10-0002-4490000000-a987a7dbe4ec4383ffba
Source of Spectrum X2-46-508-1
Wiley ID 1601226