Spectrum VF-NPL-QEHF010548 for Isovitexin 2''-O-arabinoside

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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/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1
C26H28O14
564.147905576
O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)C=5C=CC(O)=CC5
ACRIYYKEWCXQOS-XAYOXWHSSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_793_p08_E05_POS_QEHF_1142.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.975429398436833
0.7091633545783709
587.1371459960938
[M+Na]+
0.9019696843467718 ppm
-5.295799062423612E-4 Da