| Name |
Bougainvillein-r-I |
| Formula |
C30H36N2O18 |
| Mw |
712.19631236 |
| CAS RN |
30513-63-4 |
| C_ID |
C00001585
, 
|
| InChIKey |
JFSHCYUNIKQIPE-ALQPCFJFNA-N |
| InChICode |
InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)/t13-,15-,18-,19+,20+,21+,22-,23-,24+,25+,29-,30+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]([C@H]([C@@H](O[C@H]1CO)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc1c(cc2c(c1)C[C@H](/[N+]/2=C\C=C\1/C[C@H](NC(=C1)C(=O)O)C(=O)O)C(=O)[O-])O)CO)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Nyctaginaceae | Bougainvillea x buttiana Mrs. Butt | Ref. |
|
|
zoom in
| Organism | Bougainvillea x buttiana Mrs. Butt |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter18 |
|---|
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