input word = C00031367

Metabolite InformationStructural formula
Name Senburiside IV
(-)-Senburiside IV
Formula C36H42O19
Mw 778.23202916
CAS RN 864270-70-2
C_ID C00031367 ,
InChIKey SPWKTWFVULCXGX-XTZRINGTNA-N
InChICode InChI=1S/C36H42O19/c1-14-21(10-19-20(31(45)46)13-49-34(24(14)19)55-36-30(44)28(42)26(40)23(12-38)54-36)52-33(48)16-5-2-6-17(8-16)50-32(47)15-4-3-7-18(9-15)51-35-29(43)27(41)25(39)22(11-37)53-35/h2-9,13-14,19,21-30,34-44H,10-12H2,1H3,(H,45,46)/t14-,19+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,34-,35+,36-/m0/s1
SMILES C[C@@H]1[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@H]1OC(=O)c1cccc(OC(=O)c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia franchetiana Ref.
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