CID 168664466

Rhuspartin

Structural Information

Molecular Formula
C30H26O11
SMILES
C1[C@@H]([C@H](OC2=C1C(=CC(=C2C3[C@H]([C@H](OC4=CC=CC(=C34)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChI
InChI=1S/C30H26O11/c31-15-6-4-12(8-19(15)35)28-22(38)10-14-18(34)11-21(37)25(30(14)41-28)26-24-17(33)2-1-3-23(24)40-29(27(26)39)13-5-7-16(32)20(36)9-13/h1-9,11,22,26-29,31-39H,10H2/t22-,26?,27+,28+,29+/m0/s1
InChIKey
MMEDQLUGHBUNNS-PXAFTKFOSA-N
Compound name
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.15478 234.1
[M+Na]+ 585.13672 235.6
[M-H]- 561.14022 225.1
[M+NH4]+ 580.18132 231.2
[M+K]+ 601.11066 238.5
[M+H-H2O]+ 545.14476 222.7
[M+HCOO]- 607.14570 233.3
[M+CH3COO]- 621.16135 237.4
[M+Na-2H]- 583.12217 250.5
[M]+ 562.14695 246.0
[M]- 562.14805 246.0
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.