Spectrum VF-NPL-QEHF018875 for 5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3H-chromen-4-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/C15H16O6/c1-15(12-2-3-13(19)20-12)6-10(18)14-9(17)4-8(7-16)5-11(14)21-15/h4-5,12,16-17H,2-3,6-7H2,1H3
C15H16O6
292.09468823199995
O=C1OC(CC1)C2(OC3=CC(=CC(O)=C3C(=O)C2)CO)C
UTMLPTPULBHGMZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_UC_15_p1_G03_NEG_QEHF_50.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.5535711540749224
0.6524219751369773
291.08740234375
[M-H]-
0.03397003746374588 ppm
-9.888249962841655E-6 Da