input word = C00046927

Metabolite InformationStructural formula
Name Sileneoside H
Formula C35H56O14
Mw 700.3670065
CAS RN 289622-72-6
C_ID C00046927 ,
InChIKey NFANXDIFZWNPKW-DFWYUXRYNA-N
InChICode InChI=1S/C35H56O14/c1-16(37)49-31(2,3)10-9-24(48-30-28(43)27(42)26(41)22(15-36)47-30)34(6,45)23-8-12-35(46)18-13-20(38)19-14-21(39)25(40)29(44)33(19,5)17(18)7-11-32(23,35)4/h13,17,19,21-30,36,39-46H,7-12,14-15H2,1-6H3/t17-,19-,21+,22+,23-,24+,25+,26-,27-,28+,29+,30+,32+,33+,34+,35+/m0/s1
SMILES CC(=O)OC(C)(C)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene brahuica Ref.
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