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@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@H]2[C@@H](C(=CO1)C(=O)O)C[C@H]([C@@H]2C)OC(=O)c1cc(ccc1)OC(=O)c1cccc(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia franchetiana Ref.
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