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PHEBACLAVIN-H
SpectraBase Compound ID DOgPMzUcMdm
InChI InChI=1S/C16H16O7/c1-16(20,15(19)22-3)7-6-10-8-9-4-5-11(17)13(21-2)12(9)23-14(10)18/h4-8,17,20H,1-3H3/b7-6+
InChIKey QMHAHKWRWQNBQI-VOTSOKGWSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dpa2FtwBMSK
Name (E)-2-hydroxy-4-(7-hydroxy-2-keto-8-methoxy-chromen-3-yl)-2-methyl-but-3-enoic acid methyl ester
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Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-16(20,15(19)22-3)7-6-10-8-9-4-5-11(17)13(21-2)12(9)23-14(10)18/h4-8,17,20H,1-3H3/b7-6+
InChIKey QMHAHKWRWQNBQI-VOTSOKGWSA-N
Molecular Weight 320.297 g/mol
SMILES Oc1c(c2OC(C(\C=C\C(C(=O)OC)(O)C)=Cc2cc1)=O)OC
SPLASH splash10-014i-0092000000-8d3b3bc943302cda4df2
Source of Spectrum G4-65-460-8
Synonyms (E)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxo-1-benzopyran-3-yl)-2-methyl-3-butenoic acid methyl ester Methyl (E)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxo-chromen-3-yl)-2-methyl-but-3-enoate Methyl (E)-4-(8-methoxy-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-2-methyl-2-oxidanyl-but-3-enoate
Wiley ID 1639398