| Name |
Rubinic acid |
| Formula |
C30H46O4 |
| Mw |
470.33960996 |
| CAS RN |
94662-96-1 |
| C_ID |
C00057682
|
| InChIKey |
MFYBXHRQBFYAQZ-NVTJHPQGSA-N |
| InChICode |
InChI=1S/C30H46O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,23-,24+,27-,28-,29+,30+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5C[C@@H](O)[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Rubus fruticosus  | Ref. |
|
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