Spectrum VF-NPL-QEHF016873 for 2-[3,4-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enoxy)-3,4-dihydrochromen-6-yl]-5,7-dihydroxy-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/C25H28O8/c1-12(2)5-6-31-20-8-13(7-15-22(29)24(30)25(3,4)33-23(15)20)18-11-17(28)21-16(27)9-14(26)10-19(21)32-18/h5,7-10,18,22,24,26-27,29-30H,6,11H2,1-4H3
C25H28O8
456.178417856
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC(OCC=C(C)C)=C4OC(C)(C)C(O)C(O)C4=C3)C1
LNFRDRVVARCALE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_UC_1112_p14_H10_POS_QEHF_593.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.7906468438175955
0.5862298178401081
495.1415710449219
[M+K]+
272.94579768958346 ppm
-0.13514681107812976 Da