Spectrum CCMSLIB00005722823 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 [IIN-based: Match]

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/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
Commercial
Orbitrap
420.215
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
1.885980312184337
0.8190708425598298
421.222
[M+H]+
1.836000968603125 ppm
-7.733639999969455E-4 Da