Spectrum VF-NPL-QEHF001068 for Griseofulvin

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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/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1
C17H17ClO6
352.071365944
O=C1C=C(OC)C2(OC=3C(Cl)=C(OC)C=C(OC)C3C2=O)C(C)C1
DDUHZTYCFQRHIY-RBHXEPJQSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C1_207_p24_G11_NEG_QEHF_302.raw
10
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.1134893514017907
0.5638886877437586
351.0640869140625
[M-H]-
0.00863072470641287 ppm
-3.0299374884634744E-6 Da