Spectrum VF-NPL-QEHF000917 for 2-[(2r)-9-hydroxy-7-oxo-2,3-dihydro-7h-furo[3,2-g]chromen-2-yl]propan-2-yl |A-d-glucopyranoside

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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/C20H24O10/c1-20(2,30-19-15(25)14(24)13(23)10(7-21)27-19)11-6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)28-11/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11-,13-,14+,15-,19+/m1/s1
C20H24O10
424.13694696799996
O=C1OC=2C(O)=C3OC(CC3=CC2C=C1)C(OC4OC(CO)C(O)C(O)C4O)(C)C
QZUDEXAHKXCIDG-NUUDRHLNSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_165_p22_A09_NEG_QEHF_212.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.1337062827017985
0.4078879715529162
423.1296691894531
[M-H]-
0.0042033139609559496 ppm
-1.7785468457987008E-6 Da