Murrangatin

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Systematic / IUPAC Name: 8-(1,2-Dihydroxy-3-methyl-3-buten-1-yl)-7-methoxy-2H-chromen-2-one

ID: Reference7947

Other Names: Minumicrolin;
2H-1-Benzopyran-2-one, 8-(1,2-dihydroxy-3-methyl-3-buten-1-yl)-7-methoxy-;
8-(1,2-Dihydroxy-3-methyl-3-butenyl)-7-methoxy-2H-chromen-2-one

Formula: C15H16O5

Spectral Data

Murrangatin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 133
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2018 1:28:11 PM
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Identificators

InChI InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3
InChI Key DKEANOQWICTXTP-UHFFFAOYSA-N
Canonical SMILES CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O
CAS
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Other Names Minumicrolin;
2H-1-Benzopyran-2-one, 8-(1,2-dihydroxy-3-methyl-3-buten-1-yl)-7-methoxy-;
8-(1,2-Dihydroxy-3-methyl-3-butenyl)-7-methoxy-2H-chromen-2-one

In Other Databases

ChemSpider 344765
PubChem 389002
ChEMBL CHEMBL1995524
ChemIDPlus 88546967; 37126913; 124988290