input word = C00003598

Metabolite InformationStructural formula
Name Yamogenin 3-O-neohesperidoside
Formula C39H62O12
Mw 722.42412745
CAS RN 110996-52-6
C_ID C00003598 ,
InChIKey HDXIQHTUNGFJIC-DMWBYCLWNA-N
InChICode InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)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)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+/m0/s1
SMILES CC1O[C@@H](OC2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)OC(CO)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus plumosus Ref.
PlantaeAsparagaceaeAsparagus setaceus Ref.
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OrganismAsparagus setaceus
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)