input word = C00057953

Metabolite InformationStructural formula
Name Smilanippin A
Formula C39H64O12
Mw 724.43977751
CAS RN 166736-13-6
C_ID C00057953
InChIKey HXATWZQZOVMWCQ-TYGDAIMASA-N
InChICode InChI=1S/C39H64O12/c1-18-8-13-39(47-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-34(45)32(43)30(41)27(50-36)17-46-35-33(44)31(42)29(40)20(3)48-35/h18-36,40-45H,6-17H2,1-5H3/t18-,19-,20+,21-,22-,23+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1
SMILES C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSmilacaceaeSmilax nipponica Ref.
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