input word = C00057832

Metabolite InformationStructural formula
Name Smilaxin A
Formula C38H60O13
Mw 724.403392
CAS RN 123941-70-8
C_ID C00057832
InChIKey DHRMNCARLQBGJF-SIXKPJINSA-N
InChICode InChI=1S/C38H60O13/c1-17-5-10-38(48-14-17)18(2)28-26(51-38)13-22-20-12-24(39)23-11-19(6-8-36(23,3)21(20)7-9-37(22,28)4)49-35-33(45)31(43)30(42)27(50-35)16-47-34-32(44)29(41)25(40)15-46-34/h17-23,25-35,40-45H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29+,30-,31+,32-,33-,34+,35-,36-,37+,38-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[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
PlantaeAlliaceaeAllium chinense Ref.
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