Name | Value |
---|---|
n/a | |
n/a | |
InChI=1S/C27H36O6/c1-17(13-16-28)11-12-20-18(2)21(29)22(33-24(30)19-9-6-5-7-10-19)23-26(20,3)14-8-15-27(23,4)25(31)32/h5-7,9-10,13,20-23,28-29H,2,8,11-12,14-16H2,1,3-4H3,(H,31,32)/b17-13- | |
C27H36O6 | |
456.25118887199994 | |
O=C(OC1C(O)C(=C)C(CCC(=CCO)C)C2(C)CCCC(C(=O)O)(C)C12)C=3C=CC=CC3 | |
ZBHRERABGSTQPS-LGMDPLHJSA-N |
Name | Value |
---|---|
LC-ESI | |
isolated | |
Maxis II HD Q-TOF Bruker | |
456.251 | |
1 | |
positive | |
C3_GC3_01_7897.mzXML | |
MS2 | |
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | |
mwang87, Jadhav/Dorrestein, lfnothias | |
4.416063409288964 | |
0.8146914298831806 | |
474.285 | |
[M+NH4]+ | |
10.05486574515914 ppm | |
-0.004768871999942803 Da |