CID 43854

Yoronomycin

Structural Information

Molecular Formula
C19H16O8
SMILES
CC1(CC2(C=CC3=C(C2(C(=O)C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O
InChI
InChI=1S/C19H16O8/c1-17(25)7-18(26)6-5-9-12(19(18,27)16(24)15(17)23)14(22)8-3-2-4-10(20)11(8)13(9)21/h2-6,15,20,23,25-27H,7H2,1H3
InChIKey
TVRZORMBTKRMAO-UHFFFAOYSA-N
Compound name
2,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

372.0845 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09178 180.4
[M+Na]+ 395.07372 191.3
[M-H]- 371.07722 181.1
[M+NH4]+ 390.11832 198.6
[M+K]+ 411.04766 187.1
[M+H-H2O]+ 355.08176 175.4
[M+HCOO]- 417.08270 188.5
[M+CH3COO]- 431.09835 210.6
[M+Na-2H]- 393.05917 186.6
[M]+ 372.08395 180.3
[M]- 372.08505 180.3
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

patents stripe