Spectrum CCMSLIB00005722865 for NCGC00347563-02![1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000847459]

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C20H24O7/c1-6-11(2)19(23)27-18(20(3,4)24)17(22)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h6-10,17-18,22,24H,1-5H3/b11-6+
C20H24O7
376.152203108
O=C1OC=2C=C(OC)C(=CC2C=C1)C(O)C(OC(=O)C(=CC)C)C(O)(C)C
GFMYIOGFYYHKLA-IZZDOVSWSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial
Orbitrap
376.152
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
1.8605423068842362
0.7487373044951078
775.293
[2M+Na]+
1.5171244935478503 ppm
-0.0011762159999761934 Da