| Name |
Isocentratherin |
| Formula |
C20H22O7 |
| Mw |
374.13655306 |
| CAS RN |
80377-52-2 |
| C_ID |
C00012088
, 
|
| InChIKey |
LEMMNOMGQFFVKL-XRWQMIRFNA-N |
| InChICode |
InChI=1S/C20H22O7/c1-6-9(2)18(23)25-13-8-20(5)14(21)7-12(27-20)10(3)16(22)17-15(13)11(4)19(24)26-17/h6-7,13,15-17,22H,3-4,8H2,1-2,5H3/b9-6-/t13-,15+,16+,17-,20+/m0/s1 |
| SMILES |
[C@]12(C[C@@H]([C@@H]3[C@@H]([C@@H](C(=C)C(=CC1=O)O2)O)OC(=O)C3=C)OC(=O)/C(=C\C)/C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Centratherum punctatum | Ref. |
|
|
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