CID 131752015

Rhizocin

Structural Information

Molecular Formula
C20H35NO13
SMILES
CC1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)O)O)O)NC3C=C(C(C(C3O)O)O)CO)O
InChI
InChI=1S/C20H35NO13/c1-5-10(24)9(21-7-2-6(3-22)11(25)15(29)12(7)26)14(28)17(31)19(5)34-20-18(32)16(30)13(27)8(4-23)33-20/h2,5,7-32H,3-4H2,1H3
InChIKey
PJASXVPPJJZEIB-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[2,3,5-trihydroxy-6-methyl-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.21085 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.21813 211.8
[M+Na]+ 520.20007 211.7
[M+NH4]+ 515.24467 211.2
[M+K]+ 536.17401 214.9
[M-H]- 496.20357 203.6
[M+Na-2H]- 518.18552 227.9
[M]+ 497.21030 209.0
[M]- 497.21140 209.0
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.