Spectrum VF-NPL-QEHF022755 for [4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanoate

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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/C24H30O11/c1-13(26)24(32,10-14-2-6-16(27)7-3-14)23(31)33-12-15-4-8-17(9-5-15)34-22-21(30)20(29)19(28)18(11-25)35-22/h2-9,13,18-22,25-30,32H,10-12H2,1H3
C24H30O11
494.17881178
O=C(OCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1)C(O)(CC3=CC=C(O)C=C3)C(O)C
FKMASXTUONWHBB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
65HCD
MX_UC_556_p7_D11_POS_QEHF_1412.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
direct injection
1.1301175529679073
0.20848819408409447
517.1680297851562
[M+Na]+
1.0673413898638762 ppm
-5.519948437040512E-4 Da