Name |
Floralquinquenoside E |
Formula |
C53H90O22 |
Mw |
1078.59237456 |
CAS RN |
958641-35-5 |
C_ID |
C00030268
,
|
InChIKey |
NNBFRCZAUFQIAH-DUMJZCAENA-N |
InChICode |
InChI=1S/C53H90O22/c1-22(2)11-10-14-53(9,75-47-42(67)38(63)36(61)29(73-47)21-69-45-40(65)34(59)26(56)20-68-45)24-12-16-51(7)32(24)25(55)17-30-50(6)15-13-31(57)49(4,5)44(50)27(18-52(30,51)8)71-48-43(39(64)35(60)28(19-54)72-48)74-46-41(66)37(62)33(58)23(3)70-46/h11,23-48,54-67H,10,12-21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45+,46-,47-,48+,50+,51+,52+,53-/m0/s1 |
SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](C[C@@H]2O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)(CCC=C(C)C)C)C)C)C)(C)C)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Araliaceae | Panax quinquefolium L. | Ref. |
|
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