Spectrum VF-NPL-QEHF017178 for Ovalitenin B

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  • 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/C19H18O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-11,18H,12H2,1-2H3
C19H18O4
310.120509056
O=C(C1=CC=C2OC=CC2=C1OC)CC(OC)C=3C=CC=CC3
AADNEQWIZKTMBL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_UC_1212_p16_D03_POS_QEHF_775.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.774981138856853
0.7877612928248476
328.1543273925781
[M+NH4]+
14.510439218453637 ppm
-0.00476166342190254 Da