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MICROMARIN-C
SpectraBase Compound ID JzFoV6cXB5O
InChI InChI=1S/C20H24O7/c1-11(2)9-16(22)26-10-12(3)18(23)19(24)17-14(25-4)7-5-13-6-8-15(21)27-20(13)17/h5-8,11,18-19,23-24H,3,9-10H2,1-2,4H3/t18-,19+/m1/s1
InChIKey RPWASDJXFDDBFQ-MOPGFXCFSA-N
Mol Weight 376.41 g/mol
Molecular Formula C20H24O7
Exact Mass 376.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bk6jdh0Qh
Name 3-Methylbutyric acid 2-[(1R,2S)-1,2-dihydroxy-2-(2-keto-7-methoxy-chromen-8-yl)ethyl]allyl ester
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Formula C20H24O7
InChI InChI=1S/C20H24O7/c1-11(2)9-16(22)26-10-12(3)18(23)19(24)17-14(25-4)7-5-13-6-8-15(21)27-20(13)17/h5-8,11,18-19,23-24H,3,9-10H2,1-2,4H3/t18-,19+/m1/s1
InChIKey RPWASDJXFDDBFQ-MOPGFXCFSA-N
Molecular Weight 376.405 g/mol
SMILES O[C@@]([C@](c1c2OC(=O)C=Cc2ccc1OC)(O)[H])(C(COC(=O)CC(C)C)=C)[H]
SPLASH splash10-0a4i-0190000000-103a6d7011a447cb9ae8
Source of Spectrum E2-48-337-3
Synonyms 3-Methylbutanoic acid [(3R,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxo-1-benzopyran-8-yl)-2-methylenebutyl] ester [(3R,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylidenebutyl] 3-methylbutanoate [(3R,4S)-3,4-dihydroxy-4-(7-methoxy-2-oxo-chromen-8-yl)-2-methylene-butyl] 3-methylbutanoate
Wiley ID 1555116