CID 11225326

Griseoviridin

Structural Information

Molecular Formula
C22H27N3O7S
SMILES
C[C@@H]1C/C=C\2/C(=O)NC/C=C/C=C/[C@H](C[C@H](CC3=NC(=CO3)C(=O)N[C@H](CS2)C(=O)O1)O)O
InChI
InChI=1S/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14-,15-,17-/m1/s1
InChIKey
UXWOXTQWVMFRSE-JCSRQJCQSA-N
Compound name
(1S,9R,11S,12E,14E,19Z,22R)-9,11-dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.14,7]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

0
Patents

477.15698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16426 206.9
[M+Na]+ 500.14620 207.8
[M+NH4]+ 495.19080 207.0
[M+K]+ 516.12014 205.6
[M-H]- 476.14970 206.8
[M+Na-2H]- 498.13165 204.0
[M]+ 477.15643 207.1
[M]- 477.15753 207.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.