Spectrum CCMSLIB00000845983 for NCGC00169594-02!8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-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/C30H22O11/c31-14-4-1-12(2-5-14)22-11-21(38)24-19(36)10-20(37)26(30(24)40-22)27-28(39)25-18(35)8-15(32)9-23(25)41-29(27)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2
C30H22O11
558.1162115239999
O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1)C4C(=O)C=5C(O)=CC(O)=CC5OC4C6=CC=C(O)C(O)=C6
BTRRHXATSDHYNW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
558.116
1
negative
E4_GE4_01_3126.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.8732974622132001
0.7812257205157426
593.085
[M+Cl]-
816.4285456551332 ppm
-0.48421152399987477 Da