| Name |
5-[[6-O-(2-Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-3-[[6-O-[(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]-1-oxo-2-propen-1-yl]-2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl]oxy]-7-hydroxy-1-benzopyrylium |
| Formula |
C50H57O30 |
| Mw |
1137.29346549 |
| CAS RN |
475163-06-5 |
| C_ID |
C00061883
|
| InChIKey |
NXTHTMNXJOEVLR-RBRVVFPSSA-O |
| InChICode |
InChI=1S/C50H56O30/c51-14-29-36(61)39(64)43(68)48(77-29)73-21-5-1-18(2-6-21)3-8-33(58)70-16-31-38(63)41(66)46(80-47-42(67)35(60)25(55)15-72-47)50(79-31)76-28-12-22-26(74-45(28)19-4-7-23(53)24(54)9-19)10-20(52)11-27(22)75-49-44(69)40(65)37(62)30(78-49)17-71-34(59)13-32(56)57/h1-12,25,29-31,35-44,46-51,55,60-69H,13-17H2,(H3-,52,53,54,56,57)/p+1/b8-3+/t25-,29-,30-,31-,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,46-,47+,48-,49-,50-/m1/s1 |
| SMILES |
O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(OC4OC(COC(=O)C=Cc5ccc(OC6OC(CO)C(O)C(O)C6O)cc5)C(O)C(O)C4OC4OCC(O)C(O)C4O)cc23)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
|
|
zoom in
| Organism | Arabidopsis thaliana |
|---|
| Reference | https://doi.org/10.1016/S0031-9422(01)00460-5 |
|---|
|
