Spectrum VF-NPL-QEHF024712 for methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoate

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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/C14H18O6/c1-19-10(16)7-9(15)14-12(18)11(17)13(20-14)8-5-3-2-4-6-8/h2-6,9,11-15,17-18H,7H2,1H3
C14H18O6
282.110338296
O=C(OC)CC(O)C1OC(C=2C=CC=CC2)C(O)C1O
YCKKAXDZPAQYOF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_UC_841_p11_A07_NEG_QEHF_1270.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.08245676130623
0.3793915808850597
281.1030578613281
[M-H]-
0.015775964613990882 ppm
-4.4346718937049445E-6 Da