Spectrum VF-NPL-QEHF002111 for 3,5-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

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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/C26H30O11/c1-11(2)3-8-14-15(36-26-24(34)22(32)20(30)17(10-27)37-26)9-16-18(19(14)29)21(31)23(33)25(35-16)12-4-6-13(28)7-5-12/h3-7,9,17,20,22-30,32-34H,8,10H2,1-2H3
C26H30O11
518.1788117799999
O=C1C=2C(O)=C(C(OC3OC(CO)C(O)C(O)C3O)=CC2OC(C4=CC=C(O)C=C4)C1O)CC=C(C)C
DZBBOCDYINLWCH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_552_p08_E11_NEG_QEHF_258.raw
19
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.407365745474418
0.5738686262759582
517.1715087890625
[M-H]-
0.05218952886395624 ppm
-2.6990937385562574E-5 Da