Spectrum VF-NPL-QTOF002835 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
QZUDEXAHKXCIDG-NUUDRHLNSA-N
C20H24O10
424.13694696799996
O=C1OC=2C(O)=C3OC(CC3=CC2C=C1)C(OC4OC(CO)C(O)C(O)C4O)(C)C
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
MX_C1_165
1.721 minutes
1.2936387420105224
0.43182722082030794
447.1248
[M+Na]+
4.287322018347189 ppm
-0.0019169679999890832 Da