Spectrum CCMSLIB00000855316 for NCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-

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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
33606-81-4
n/a
InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3
C21H26O5
358.178023932
OC1=CC=C2C=C1C3=CC(=C(O)C(OC)=C3OC)CCCCC(O)CC2
SBGBAZQAEOWGFT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
1
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
358.178
positive
G11_GG11_01_7931.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.656777097989931
0.9507818320306441
400.212
[M+ACN+H]+