Spectrum CCMSLIB00000848594 for NCGC00347824-02!6-[(2E,6E)-4,5-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one

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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/C23H32O7/c1-12(18-14(3)16(27-8)9-17(24)28-18)10-21(5,26)19(25)13(2)11-22(6)20-23(7,30-20)15(4)29-22/h9-11,15,19-20,25-26H,1-8H3/b12-10+,13-11+
C23H32O7
420.214803364
O=C1OC(C(=CC(O)(C)C(O)C(=CC2(OC(C)C3(OC23)C)C)C)C)=C(C(OC)=C1)C
HYVHGKDHDRBYPY-DCIPZJNNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
420.215
1
positive
E6_GE6_01_2711.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.8355742237505215
0.948683053876991
403.211
[M-H2O+H]+
8.845582089814979 ppm
0.0035666360000163877 Da