| Name |
Scrophuloside B4 |
| Formula |
C42H48O18 |
| Mw |
840.28406473 |
| CAS RN |
861885-74-7 |
| C_ID |
C00064583
|
| InChIKey |
FLAHDRJIGYMBNF-RHHCUTRASA-N |
| InChICode |
InChI=1S/C42H48O18/c1-21-34(56-28(46)16-12-24-9-13-25(51-3)14-10-24)36(57-29(47)15-11-23-7-5-4-6-8-23)37(54-22(2)45)41(53-21)58-35-26-17-18-52-39(30(26)42(20-44)38(35)60-42)59-40-33(50)32(49)31(48)27(19-43)55-40/h4-18,21,26-27,30-41,43-44,48-50H,19-20H2,1-3H3/b15-11+,16-12+/t21-,26+,27+,30+,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+/m0/s1 |
| SMILES |
COc1ccc(C=CC(=O)OC2C(C)OC(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)C(OC(C)=O)C2OC(=O)C=Cc2ccccc2)cc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Scrophulariaceae | Scrophularia amplexicaulis | Ref. |
| Plantae | Scrophulariaceae | Scrophularia ningpoensis  | Ref. |
|
|
zoom in
| Organism | Scrophularia ningpoensis |
|---|
| Reference | Singh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA. |
|---|
|
