Spectrum CCMSLIB00000845219 for NCGC00380471-01!5-hydroxy-6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

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
n/a
n/a
InChI=1S/C17H20O11/c1-24-14-9(20)6-3-4-8(19)27-13(6)15(25-2)16(14)28-17-12(23)11(22)10(21)7(5-18)26-17/h3-4,7,10-12,17-18,20-23H,5H2,1-2H3/t7-,10-,11+,12-,17+/m1/s1
C17H20O11
400.10056146
O=C1OC=2C(OC)=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C(O)C2C=C1
KDWWYRPEBULRGU-KIZWGXMFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
400.101
1
positive
G3_RG3_01_2949.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.138387496000349
0.6287160832034173
401.108
[M+H]+
1.3249798059141233 ppm
-5.314599999906022E-4 Da