Spectrum VF-NPL-QEHF014367 for Nobiletin

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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/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
C21H22O8
402.13146766399996
O=C1C=C(OC2=C(OC)C(OC)=C(OC)C(OC)=C12)C=3C=CC(OC)=C(OC)C3
MRIAQLRQZPPODS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C4_10_p7_D02_POS_QEHF_166.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.401379661183592
0.6675792402722005
403.1387329101562
[M+H]+
1.7481670358880905 ppm
-7.047538437632284E-4 Da