| Name |
Croceaine A |
| Formula |
C27H32N2O9 |
| Mw |
528.21078064 |
| CAS RN |
800391-12-2 |
| C_ID |
C00026649
, 
|
| InChIKey |
CNDZNSRMCKQXEC-NDXKYIAUNA-N |
| InChICode |
InChI=1S/C27H32N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7,11,13,18-20,22-24,26-33H,6,8-10H2,1H3/t13-,18+,19+,20-,22-,23-,24+,26-,27+/m1/s1 |
| SMILES |
c1ccc2c(c1)[nH]c1c2CCN[C@@H]1C1=CC[C@H]2[C@@H]1[C@H](OC=C2C(=O)OC)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Palicourea crocea | Ref. |
|
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