Spectrum CCMSLIB00005722641 for NCGC00380375-01!6-[(4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-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/C24H34O7/c1-12(11-22(6)21-24(8,31-21)16(5)30-22)10-13(2)18(25)23(7,27)19-14(3)17(28-9)15(4)20(26)29-19/h10-11,16,18,21,25,27H,1-9H3/b12-11+,13-10+
C24H34O7
434.230453428
O=C1OC(=C(C(OC)=C1C)C)C(O)(C)C(O)C(=CC(=CC2(OC(C)C3(OC23)C)C)C)C
UXTZIHZDUIRZDY-JASOSIDASA-N

Mass Spectral Metadata

NameValue
0.9728654207041003 ppm
LC-ESI
Commercial
Orbitrap
434.23
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
2.0606458309781046
0.8292648865316162
435.238
[M+H]+
-4.2342799997641123E-4 Da