| Name |
Neochlorogenin |
| Formula |
C27H44O4 |
| Mw |
432.32395989 |
| CAS RN |
511-91-1 |
| C_ID |
C00057419
|
| InChIKey |
PZNPHSFXILSZTM-UNARIRTPSA-N |
| InChICode |
InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1 |
| SMILES |
[H][C@@]1([C@@](C[C@H](O)[C@@]2([H])C[C@H](CC[C@@]23C)O)([H])[C@]3([H])CC[C@@]14C)C[C@@](O[C@@]5(OC[C@@H](C)CC5)[C@H]6C)([H])[C@@]46[H] |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Solanum torvum  | Ref. |
|
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