Spectrum VF-NPL-QEHF027105 for Gossypetin

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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/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H
C15H10O8
318.03756728
O=C1C(O)=C(OC=2C(O)=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3
YRRAGUMVDQQZIY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_UC_2506_p7_B05_6.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.160374053696056
0.5317988803262732
357.000732421875
[M+K]+
378.528237766532 ppm
-0.13513485812501358 Da