Spectrum VF-NPL-LTQ003788 for cirsimaritin

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
C17H14O6
314.079038168
O=C1C=C(OC=2C=C(OC)C(OC)=C(O)C12)C=3C=CC(O)=CC3
ZIIAJIWLQUVGHB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C4_20_p23_F03_iTree_NEG_06.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.7552265636965078
0.4692486475320502
313.13142013549805
M-H
190.5205407755346 ppm
0.05965796749802621 Da