Spectrum CCMSLIB00000847823 for NCGC00385713-01!1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-diol

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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
n/a
n/a
InChI=1S/C20H26O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,17-18,21-23H,7-8,10-11,14H2,1H3
C20H26O4
330.183109312
OC1=CC=C(C=C1OC)CCC(O)CC(O)CCC=2C=CC=CC2
GGNVNVJXTWDKHG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
isolated
LC-ESI
Maxis II HD Q-TOF Bruker
330.183
1
positive
G9_RG9_01_2778.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.979566022053495
0.5794945525529843
331.19
[M+H]+
3.258890666993763 ppm
-0.0010793120000016643 Da