Spectrum VF-NPL-QEHF005135 for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol

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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/C15H20O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h1-6,11-20H,7-8H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1
C15H20O7
312.12090298
OCC=CC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1
CRVXJSNSTGEXDX-HHMSBIESSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C2_298_p03_A09_POS_QEHF_1328.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.155787647705467
0.6869373135954345
313.128173828125
[M+H]+
2.2327977276378186 ppm
-6.991518749828174E-4 Da