input word = C00031366

Metabolite InformationStructural formula
Name Senburiside III
(-)-Senburiside III
Formula C47H52O23
Mw 984.28993797
CAS RN 864270-69-9
C_ID C00031366 ,
InChIKey QYVHVDVEGZMKQW-IRVLKMIYNA-N
InChICode InChI=1S/C47H52O23/c1-20-28(66-44(60)23-7-4-8-24(14-23)64-43(59)22-6-5-9-25(15-22)65-46-40(56)38(54)36(52)31(17-48)67-46)16-26-27(42(57)58)19-63-45(34(20)26)70-47-41(39(55)37(53)32(18-49)68-47)69-33(50)11-10-21-12-29(61-2)35(51)30(13-21)62-3/h4-15,19-20,26,28,31-32,34,36-41,45-49,51-56H,16-18H2,1-3H3,(H,57,58)/b11-10+/t20-,26+,28+,31+,32+,34-,36+,37+,38-,39-,40+,41+,45-,46+,47-/m0/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1OC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)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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