input word = C00048507

Metabolite InformationStructural formula
Name Physenoside S2
(+)-Physenoside S2
Formula C57H92O26
Mw 1192.58768311
CAS RN 1191300-10-3
C_ID C00048507 ,
InChIKey VCQKLYXPPYUQTG-VFGLTRNGNA-N
InChICode InChI=1S/C57H92O26/c1-24-40(79-45-37(68)33(64)28(62)19-74-45)36(67)39(70)46(77-24)81-42-41(80-49-43(71)57(73,22-60)23-76-49)29(63)20-75-48(42)83-50(72)56-14-12-51(2,3)16-26(56)25-8-9-32-52(4)17-27(61)44(82-47-38(69)35(66)34(65)30(18-58)78-47)53(5,21-59)31(52)10-11-55(32,7)54(25,6)13-15-56/h8,24,26-49,58-71,73H,9-23H2,1-7H3/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36+,37+,38+,39+,40-,41+,42+,43-,44-,45-,46-,47-,48-,49-,52-,53-,54+,55+,56-,57+/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@@H]([C@@H]([C@@]1(C)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)C)C)C(=O)O[C@@H]1OC[C@H]([C@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhysenaceaePhysena sessiliflora Ref.
zoom in



OrganismPhysena sessiliflora
ReferenceInoue,Phytochem.,70,(2009),1195