Spectrum CCMSLIB00000850284 for NCGC00347538-02_C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol

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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
UTKZLHKWTSXNQI-UHFFFAOYSA-N
n/a
n/a
InChI=1S/C21H26O5/c1-25-20-14-5-3-4-6-15(22)9-7-13-8-10-18(23)16(11-13)17(12-14)19(24)21(20)26-2/h8,10-12,15,22-24H,3-7,9H2,1-2H3
C21H26O5
358.178023932
OC1=CC=C2C=C1C3=CC(=C(OC)C(OC)=C3O)CCCCC(O)CC2

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
358.178
1
negative
E8_GE8_01_8231.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.8687659434553399
0.6465486449450959
357.171
[M-H]-
0.7057347881235486 ppm
2.5206800000887597E-4 Da