Spectrum VF-NPL-LTQ001525 for 3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one

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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/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7+
C25H26O4
390.183109312
O=C1C(=COC2=CC(O)=CC=C12)C=3C=CC(O)=C(C3)CC=C(C)CCC=C(C)C
ZBHUUXLHDOUMKM-REZTVBANSA-N

Mass Spectral Metadata

NameValue
35
MX_C1_626_p11_E04_03_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
2.058549985733733
0.9368864734934801
413.199521484375
M-H
58140.64858079328 ppm
24.02368817237499 Da