input word = C00031201

Metabolite InformationStructural formula
Name Rotundifolioside C
(-)-Rotundifolioside C
Formula C48H80O17
Mw 928.53955113
CAS RN 626253-94-9
C_ID C00031201 ,
InChIKey ODNMPHSPFZBGIL-DGFRIZPANA-N
InChICode InChI=1S/C48H80O17/c1-20-10-15-48(19-50)28(52)17-47(9)24(30(48)21(20)2)16-25(51)40-45(7)13-12-29(44(5,6)27(45)11-14-46(40,47)8)63-42-38(35(57)32(54)23(4)61-42)65-43-39(36(58)33(55)26(18-49)62-43)64-41-37(59)34(56)31(53)22(3)60-41/h16,20-23,25-43,49-59H,10-15,17-19H2,1-9H3/t20-,21+,22+,23-,25+,26-,27+,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+,42+,43+,45+,46-,47-,48+/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@H]1C)C1=C[C@@H]([C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)C)C)C)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum rotundifolium Ref.
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