Spectrum CCMSLIB00004722186 for Selaginpulvilin M

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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/C36H28O4/c1-23-4-19-33-32-21-14-28(38)22-34(32)36(25-8-15-29(39-2)16-9-25,26-10-17-30(40-3)18-11-26)35(33)31(23)20-7-24-5-12-27(37)13-6-24/h4-6,8-19,21-22,37-38H,1-3H3
C36H28O4
524.198759376
OC1=CC=C(C#CC=2C(=CC=C3C=4C=CC(O)=CC4C(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C23)C)C=C1
XMUYFSFAOAZCJF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
524.199
1
f.kbkang/Selaginellin/180905_STR_Compoud3_neg.mzXML;
MS2
GNPS-LIBRARY
Kyo Bin Kang, kbkang, Sunmin Woo
negative
3.8974626901863645
0.6873976267102206
523.193
[M-H]-
2.898784960870285 ppm
0.001516624000032607 Da