CID 102146096

Fusaroskyrin

Structural Information

Molecular Formula
C32H22O12
SMILES
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3C4=C(C=C(C5=C4C(=O)C6=C(C(=CC(=C6C5=O)O)C)O)O)OC)OC)O)O
InChI
InChI=1S/C32H22O12/c1-9-5-11(33)19-25(27(9)37)31(41)23-17(29(19)39)13(35)7-15(43-3)21(23)22-16(44-4)8-14(36)18-24(22)32(42)26-20(30(18)40)12(34)6-10(2)28(26)38/h5-8,33-38H,1-4H3
InChIKey
KWJYPXPZYJXQFD-UHFFFAOYSA-N
Compound name
1,4,5-trihydroxy-7-methoxy-2-methyl-8-(4,5,8-trihydroxy-2-methoxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.11115 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.11843 238.1
[M+Na]+ 621.10037 247.2
[M-H]- 597.10387 236.8
[M+NH4]+ 616.14497 241.6
[M+K]+ 637.07431 249.7
[M+H-H2O]+ 581.10841 229.9
[M+HCOO]- 643.10935 243.6
[M+CH3COO]- 657.12500 267.0
[M+Na-2H]- 619.08582 257.7
[M]+ 598.11060 256.2
[M]- 598.11170 256.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.