Spectrum VF-NPL-QEHF001467 for 1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

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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/C19H24O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18-23H,5-6,11-13H2
C19H24O4
316.167459248
OC1=CC=C(C=C1)CCC(O)CC(O)CCC2=CC=C(O)C=C2
GZVIQGVWSNEONZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
15
65HCD
MX_C1_416_p19_B07_NEG_QEHF_167.raw
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.8205878884847273
0.512716869584174
315.1601867675781
[M-H]-
0.011167584812258718 ppm
3.5195781151742267E-6 Da