| Name |
(E)-2-(3,4-Dihydroxyphenyl)-3-[[2-O-beta-D-glucopyranosyl-6-O-[3-[4-(beta-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium |
| Formula |
C48H57O28.Cl |
| Mw |
1116.27248895 |
| CAS RN |
107480-92-2 |
| C_ID |
C00059096
|
| InChIKey |
GVOUXJFNMSCVGF-QOJRFDMASA-N |
| InChICode |
InChI=1S/C48H56O28.ClH/c49-13-27-32(56)36(60)40(64)45(72-27)68-20-5-1-17(2-6-20)3-8-31(55)67-16-30-35(59)39(63)44(76-47-42(66)38(62)34(58)29(15-51)74-47)48(75-30)71-26-12-21-24(69-43(26)18-4-7-22(53)23(54)9-18)10-19(52)11-25(21)70-46-41(65)37(61)33(57)28(14-50)73-46;/h1-12,27-30,32-42,44-51,56-66H,13-16H2,(H2-,52,53,54);1H/b8-3+;/t27-,28-,29-,30-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,44-,45-,46-,47+,48-;/m1./s1 |
| SMILES |
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.[Cl-] |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea  | Ref. |
|
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