CID 102405297

6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C32H40O15
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C(C4=C3C(=O)CC(O4)C5=CC=C(C=C5)O)CC=C(C)C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C32H40O15/c1-12(2)4-9-16-22(36)26(40)30(20-17(34)10-18(45-29(16)20)14-5-7-15(33)8-6-14)47-32-28(42)25(39)23(37)19(46-32)11-43-31-27(41)24(38)21(35)13(3)44-31/h4-8,13,18-19,21,23-25,27-28,31-33,35-42H,9-11H2,1-3H3/t13-,18?,19+,21-,23+,24+,25-,27+,28+,31+,32-/m0/s1
InChIKey
POYMCXRWXZAMNO-PYKNXDPZSA-N
Compound name
6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.2367 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.24398 247.4
[M+Na]+ 687.22592 250.4
[M-H]- 663.22942 243.2
[M+NH4]+ 682.27052 248.6
[M+K]+ 703.19986 246.1
[M+H-H2O]+ 647.23396 239.9
[M+HCOO]- 709.23490 250.3
[M+CH3COO]- 723.25055 254.1
[M+Na-2H]- 685.21137 272.5
[M]+ 664.23615 257.0
[M]- 664.23725 257.0
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.