Spectrum VF-NPL-QEHF009421 for 9-[[3-methyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
InChI=1S/C21H18O7/c1-11-7-14(26-20(11)23)9-21(2)15(28-21)10-25-19-17-13(5-6-24-17)8-12-3-4-16(22)27-18(12)19/h3-8,14-15H,9-10H2,1-2H3
C21H18O7
382.105252916
O=C1OC2=C(OCC3OC3(C)CC4OC(=O)C(=C4)C)C=5OC=CC5C=C2C=C1
CISFAPDYRQPRCZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_718_p21_A08_POS_QEHF_436.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.966058478893199
0.541601062577526
400.1390686035156
[M+NH4]+
11.906641610904092 ppm
-0.0047643124843830265 Da