PubChemLite - Fusarin c (C23H29NO7)

Structural Information

Molecular Formula

SMILES

C/C=C(\C=C(/C)\C=C(/C)\C=C\C=C(/C)\C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)O)/C(=O)OC

InChI

InChI=1S/C23H29NO7/c1-6-17(19(27)30-5)13-15(3)12-14(2)8-7-9-16(4)18(26)23-20(31-23)22(29,10-11-25)24-21(23)28/h6-9,12-13,20,25,29H,10-11H2,1-5H3,(H,24,28)/b8-7+,14-12+,15-13+,16-9+,17-6+/t20-,22-,23-/m0/s1

InChIKey

FZFYFSUIOSWLHW-UNZVFGKVSA-N

Compound name

methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	432.20168	200.3
[M+Na]+	454.18362	205.3
[M-H]-	430.18712	199.5
[M+NH4]+	449.22822	207.3
[M+K]+	470.15756	200.5
[M+H-H2O]+	414.19166	198.4
[M+HCOO]-	476.19260	207.4
[M+CH3COO]-	490.20825	222.6
[M+Na-2H]-	452.16907	195.1
[M]+	431.19385	205.3
[M]-	431.19495	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.20168

200.3

[M+Na]+

454.18362

205.3

[M-H]-

430.18712

199.5

[M+NH4]+

449.22822

207.3

[M+K]+

470.15756

200.5

[M+H-H2O]+

414.19166

198.4

[M+HCOO]-

476.19260

207.4

[M+CH3COO]-

490.20825

222.6

[M+Na-2H]-

452.16907

195.1

[M]+

431.19385

205.3

[M]-

431.19495

205.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fusarin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe