| Name |
(+)-2,3-Dihydro-9-hydroxy-2[1-(6-sinapinoyl)beta-D-glucosyloxy-1-methylethyl]-7H-furo[3,2-g][1]benzopyran-7-one |
| Formula |
C31H34O14 |
| Mw |
630.1948558 |
| CAS RN |
115235-61-5 |
| C_ID |
C00019837
, 
|
| InChIKey |
IVHSSCUMYDHEGB-SYQCGLEMNA-N |
| InChICode |
InChI=1S/C31H34O14/c1-31(2,20-12-16-11-15-6-8-22(33)44-28(15)27(38)29(16)43-20)45-30-26(37)25(36)24(35)19(42-30)13-41-21(32)7-5-14-9-17(39-3)23(34)18(10-14)40-4/h5-11,19-20,24-26,30,34-38H,12-13H2,1-4H3/b7-5+/t19-,20+,24+,25-,26+,30-/m0/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](OC(C)(C)[C@H]3Cc4cc5ccc(=O)oc5c(O)c4O3)C(O)[C@@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Apium graveolens  | Ref. |
|
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