| Name |
Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside] |
| Formula |
C58H63O32 |
| Mw |
1271.33024492 |
| CAS RN |
190279-21-1 |
| C_ID |
C00011096
, 
|
| InChIKey |
FJMNHLRFAAHBAS-PJMVXXJDNA-O |
| InChICode |
InChI=1S/C58H62O32/c1-77-32-11-23(12-33(78-2)44(32)66)5-9-41(63)81-20-37-46(68)49(71)52(74)56(88-37)84-26-16-29(60)27-18-36(87-58-54(76)51(73)48(70)39(90-58)22-83-43(65)19-40(61)62)55(85-30(27)17-26)25-7-8-28(59)31(15-25)86-57-53(75)50(72)47(69)38(89-57)21-82-42(64)10-6-24-13-34(79-3)45(67)35(14-24)80-4/h5-18,37-39,46-54,56-58,68-76H,19-22H2,1-4H3,(H4-,59,60,61,62,63,64,66,67)/p+1/t37-,38+,39+,46-,47-,48-,49-,50+,51-,52-,53-,54+,56+,57+,58+/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc(O)c4cc(O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)C(O)C5O)c(-c5ccc(O)c(O[C@@H]6O[C@H](COC(=O)/C=C/c7cc(OC)c(O)c(OC)c7)[C@@H](O)C(O)C6O)c5)[o+]c4c3)C(O)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Orchidaceae | Phalaenopsis equestris | Ref. |
| Plantae | Orchidaceae | Phalaenopsis leucorrhoda | Ref. |
| Plantae | Orchidaceae | Phalaenopsis sanderiana | Ref. |
| Plantae | Orchidaceae | Phalaenopsis schilleriana | Ref. |
| Plantae | Orchidaceae | Phalaenopsis x intermedia | Ref. |
|
|
zoom in
| Organism | Phalaenopsis schilleriana |
|---|
| Reference | Tatsuzawa,Phytochem.,45,(1997),173 |
|---|
|
