Spectrum TT000153 for alpha,beta-Dehydrocurvularin

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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
Natural Product; Curvularin
InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1
AVIRMQMUBGNCKS-RWCYGVJQSA-N
C16H18O5
290.115423676
O=C1C=CCCCC(OC(=O)CC=2C=C(O)C=C(O)C12)C

Mass Spectral Metadata

NameValue
TT000153
2016.01.19 (Created 2008.10.21, modified 2011.05.06)
Kimura Y, Kusano M, Faculty of Agriculture, Tottori University
CC BY-SA
Kusano, M., Nakagami, K., Fujioka, S., Kawano, T., Shimada, A., and Kimura, Y. 2003. beta,gamma-Dehydrocurvularin and Related Compounds as Nematicides of Pratylenchus penetrans from the Fungus Aspergillus sp. Biosci. Biotechnol. Biochem., 67 (6):1413 -1416.
[Analytical] Sample was directly injected
290.11542
Unknown
EI-B
MS1
70 eV
positive
3.807915063562138
0.6947940042800964