Spectrum VF-NPL-QEHF001785 for 2-(2-hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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(2,26)18-17(30-19-16(25)15(24)14(23)12(7-21)29-19)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3/t12-,14-,15+,16-,17?,18?,19+/m1/s1
C20H24O10
424.13694696799996
O=C1OC=2C=C3OC(C(OC4OC(CO)C(O)C(O)C4O)C3=CC2C=C1)C(O)(C)C
HGHSJJSYVZPIAW-NWMIEQKASA-N

Mass Spectral Metadata

NameValue
15
Arpana Vaniya
MS2
65HCD
MX_C1_513_p04_H11_POS_QEHF_30.raw
positive
ESI-QFT
Thermo Q Exactive HF
direct injection
4.204951910408569
0.7210282317566917
447.1261596679688
[M+Na]+
1.2464044411748254 ppm
-5.573000311756005E-4 Da