Spectrum CCMSLIB00000853991 for NCGC00386065-01_C19H20O7_Methyl 4,6'-dihydroxy-6-methyl-3-oxo-3'-(2-oxopropyl)-3H-spiro[1-benzofuran-2,1'-cyclohex[4]ene]-2'-carboxylate

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
n/a
n/a
InChI=1S/C19H20O7/c1-9-6-12(21)15-13(7-9)26-19(17(15)23)14(22)5-4-11(8-10(2)20)16(19)18(24)25-3/h4-7,11,14,16,21-22H,8H2,1-3H3
C19H20O7
360.12090298
O=C(OC)C1C(C=CC(O)C21OC3=CC(=CC(O)=C3C2=O)C)CC(=O)C
WBXFRPMHPXIXQL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
360.121
1
positive
C5_GC5_01_8165.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.3439954522379693
0.5006257489450288
383.11
[M+Na]+
1.7566234240564726 ppm
-6.729799999902752E-4 Da