| Name |
Cyanidin 3-(3'',6''-dimalonylglucoside) |
| Formula |
C27H25O17 |
| Mw |
621.10917438 |
| CAS RN |
180129-50-4 |
| C_ID |
C00006799
, 
|
| InChIKey |
CXGHPQSURHQOBH-XQIZHIIKNA-O |
| InChICode |
InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)OC(=O)CC(=O)O)O)c1ccc(c(c1)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium sativum  | Ref. |
| Plantae | Alliaceae | Allium schoenoprasum | Ref. |
| Plantae | Alliaceae | Allium victorialis | Ref. |
| Plantae | Asteraceae | Dendranthema grandiflorum | Ref. |
| Plantae | Poaceae | Alopecurus spp. | Ref. |
| Plantae | Poaceae | Anthoxanthum spp. | Ref. |
| Plantae | Poaceae | Avenula spp. | Ref. |
| Plantae | Poaceae | Bothriochloa spp. | Ref. |
| Plantae | Poaceae | Dactylis spp. | Ref. |
| Plantae | Poaceae | Deschampsia spp. | Ref. |
| Plantae | Poaceae | Elymus spp. | Ref. |
| Plantae | Poaceae | Festuca spp. | Ref. |
| Plantae | Poaceae | Hordeum spp. | Ref. |
| Plantae | Poaceae | Miscanthus spp. | Ref. |
| Plantae | Poaceae | Molinia spp. | Ref. |
| Plantae | Poaceae | Oryza spp. | Ref. |
| Plantae | Poaceae | Phalaris arundinacea | Ref. |
| Plantae | Poaceae | Phalaris spp. | Ref. |
| Plantae | Poaceae | Phleum spp. | Ref. |
| Plantae | Poaceae | Poa spp. | Ref. |
| Plantae | Poaceae | Sinarundinaria spp. | Ref. |
| Plantae | Poaceae | Zea mays | Ref. |
|
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