Spectrum CCMSLIB00004751272 for Ovoic acid

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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
C25H22O10
482.121296904
O=C(O)C1=C(O)C=C(OC(=O)C=2C(OC)=CC(OC(=O)C=3C(O)=CC(O)=CC3C)=CC2C)C=C1C
InChI=1S/C25H22O10/c1-11-5-14(26)8-17(27)21(11)24(31)35-16-7-13(3)22(19(10-16)33-4)25(32)34-15-6-12(2)20(23(29)30)18(28)9-15/h5-10,26-28H,1-4H3,(H,29,30)
BXLGBRLDRRZQKR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
482.121
1
NEG_077_Ovoic_acid.mzXML
MS2
LDB_NEGATIVE
Joel BOUSTIE Pierre LE POGAM, Damien OLIVIER, dolivierj
negative
2.594933090738116
0.33301038185138554
481.101
[M-H]-
27.064803440503205 ppm
-0.013020904000029532 Da