Spectrum MoNA002612 for Hinokiflavone

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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
InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H
WTDHMFBJQJSTMH-UHFFFAOYSA-N
C30H18O10
538.089996776
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(OC4=C(O)C=C5OC(=CC(=O)C5=C4O)C=6C=CC(O)=CC6)=CC3

Mass Spectral Metadata

NameValue
Agilent 6530 QTOF
50 eV
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Mark Lange, Narayanan Srividya, Dunja Samec
positive
3.054216521474224
0.8894082416746044
539.0979
[M+H]+
0.12386618467569824 ppm
-6.67760000396811E-5 Da