CID 73822598

2-[[3,7-bis(3,4-dihydroxyphenyl)-4,6-dihydroxy-3,5,6,7-tetrahydro-2h-furo[3,2-g]chromen-2-yl]methyl]benzene-1,3,5-triol

Structural Information

Molecular Formula
C30H26O11
SMILES
C1C(C(OC2=CC3=C(C(C(O3)CC4=C(C=C(C=C4O)O)O)C5=CC(=C(C=C5)O)O)C(=C21)O)C6=CC(=C(C=C6)O)O)O
InChI
InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2
InChIKey
FFCVTFZKQFEUKL-UHFFFAOYSA-N
Compound name
2-[[3,7-bis(3,4-dihydroxyphenyl)-4,6-dihydroxy-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-2-yl]methyl]benzene-1,3,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

562.1475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.15478 235.7
[M+Na]+ 585.13672 248.0
[M+NH4]+ 580.18132 238.3
[M+K]+ 601.11066 237.0
[M-H]- 561.14022 242.0
[M+Na-2H]- 583.12217 244.3
[M]+ 562.14695 239.0
[M]- 562.14805 239.0
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

patents stripe