input word = C00050083

Metabolite InformationStructural formula
Name Eclalbasaponin II
Formula C36H58O9
Mw 634.40808345
CAS RN 78285-90-2
C_ID C00050083 ,
InChIKey WYDPEADEZMZKNM-POIXCTIBNA-N
InChICode InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEclipta prostrata Ref.
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