CID 157009872

Luteolin 6-c-glucosyl-o-arabinoside

Structural Information

Molecular Formula
C26H28O15
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O15/c27-6-15-19(32)24(37)26(41-15)38-7-16-20(33)22(35)23(36)25(40-16)18-12(31)5-14-17(21(18)34)11(30)4-13(39-14)8-1-2-9(28)10(29)3-8/h1-5,15-16,19-20,22-29,31-37H,6-7H2/t15-,16-,19-,20-,22+,23-,24+,25+,26-/m1/s1
InChIKey
MFKFVFBXHPTHOJ-NBRHCPASSA-N
Compound name
6-[(2S,3R,4R,5S,6R)-6-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1428 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.15008 232.3
[M+Na]+ 603.13202 236.7
[M-H]- 579.13552 229.1
[M+NH4]+ 598.17662 234.3
[M+K]+ 619.10596 237.3
[M+H-H2O]+ 563.14006 225.0
[M+HCOO]- 625.14100 236.2
[M+CH3COO]- 639.15665 240.2
[M+Na-2H]- 601.11747 251.8
[M]+ 580.14225 240.9
[M]- 580.14335 240.9
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.