| Name |
Crocin
alpha-crocin
Crocetin digentiobioside
Crocin I |
| Formula |
C44H64O24 |
| Mw |
976.37875298 |
| CAS RN |
42553-65-1 |
| C_ID |
C00003769
, 
|
| InChIKey |
SEBIKDIMAPSUBY-LKQNOAEQNA-N |
| InChICode |
InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9+,20-10+,21-13+,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,41-,42-,43+,44+/m1/s1 |
| SMILES |
O=C(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)\C)/C)/C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Iridaceae | Crocus sativa | Ref. |
| Plantae | Iridaceae | Crocus sativus  | Ref. |
| Plantae | Rubiaceae | Gardenia jasminoides | Ref. |
| Plantae | Rubiaceae | Gardenia spp. | Ref. |
| Plantae | Scrophulariaceae | Verbascum phlomoides | Ref. |
| - | - | Safran naturalis | Ref. |
|
|
zoom in
| Organism | Gardenia jasminoides |
|---|
| Reference | Xu, Z. et al., BMC Biol., 18, (2020), 63. |
|---|
|
