Spectrum VF-NPL-QEHF004155 for 1',2'-dihydro-2',6-dihydroxyrotenone

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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/C23H24O8/c1-22(2,25)18-7-12-14(30-18)6-5-11-20(12)31-19-10-29-15-9-17(28-4)16(27-3)8-13(15)23(19,26)21(11)24/h5-6,8-9,18-19,25-26H,7,10H2,1-4H3/t18-,19-,23-/m1/s1
C23H24O8
428.147117728
O=C1C2=CC=C3OC(CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14O)C(O)(C)C
NSFCLBVWJYYZMR-DNVFCKCGSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_178_p21_G02_POS_QEHF_698.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.794287604535652
0.7988595526267643
429.1543884277344
[M+H]+
1.629484130872412 ppm
-6.993002656372482E-4 Da