| Name |
Crocin 2
Crocin 3
Crocin II |
| Formula |
C38H54O19 |
| Mw |
814.32592955 |
| CAS RN |
55750-84-0 |
| C_ID |
C00045803
, 
|
| InChIKey |
CZSBHMFVVLYIQQ-XMRLGAIUNA-N |
| InChICode |
InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1 |
| SMILES |
[C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](O1)OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C)/C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)\C)/C)/C)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Iridaceae | Crocus sativus  | Ref. |
| Plantae | Rubiaceae | Gardenia jasminoides | Ref. |
|
|
zoom in
| Organism | Gardenia jasminoides |
|---|
| Reference | Xu, Z. et al., BMC Biol., 18, (2020), 63. |
|---|
|
