input word = C00003540

Metabolite InformationStructural formula
Name Pfaffoside A
Formula C40H60O13
Mw 748.403392
CAS RN 90745-17-8
C_ID C00003540 ,
InChIKey BXKCSGRUPJSGIF-QLCVTFRMNA-N
InChICode InChI=1S/C40H60O13/c1-35(2)21-9-12-38(5)22(8-7-18-19-15-36(3)13-14-40(19,34(48)49)23(36)16-39(18,38)6)37(21,4)11-10-24(35)51-33-30(27(44)26(43)29(52-33)31(46)47)53-32-28(45)25(42)20(41)17-50-32/h7,19-30,32-33,41-45H,8-17H2,1-6H3,(H,46,47)(H,48,49)/t19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,32+,33-,36+,37-,38+,39+,40?/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]3([C@@H](C2)[C@@](CC3)(C)C1)C(=O)O)C)C)C)(C)C)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaePfaffia paniculata Ref.
zoom in