input word = C00041834

Metabolite InformationStructural formula
Name Sapinmusaponin H
(-)-Sapinmusaponin H
Formula C43H70O12
Mw 778.4867277
CAS RN 886986-17-0
C_ID C00041834 ,
InChIKey QABIGJHPRPUDJG-JGEMMAAZNA-N
InChICode InChI=1S/C43H70O12/c1-21(2)18-23-19-24(37(50-9)52-23)25-12-16-43(8)27-10-11-29-40(4,5)30(14-15-41(29,6)26(27)13-17-42(25,43)7)54-39-36(34(48)32(46)28(20-44)53-39)55-38-35(49)33(47)31(45)22(3)51-38/h10,18,22-26,28-39,44-49H,11-17,19-20H2,1-9H3/t22-,23+,24-,25-,26-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,41+,42-,43+/m0/s1
SMILES C1[C@H]2C(=CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)CO)C)[C@@]2([C@@](C1)([C@@H](CC2)[C@H]1[C@@H](O[C@@H](C1)C=C(C)C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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