| Name |
5-[[6-O-(2-Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-1-benzopyrylium |
| Formula |
C39H39O21 |
| Mw |
843.19838331 |
| CAS RN |
204203-96-3 |
| C_ID |
C00060710
|
| InChIKey |
HCZDGTUAMVKZNE-KMKFZPLVSA-O |
| InChICode |
InChI=1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/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(O)cc5)C(O)C(O)C4O)cc23)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Perilla frutescens  | Ref. |
|
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