input word = C00050326

Metabolite InformationStructural formula
Name Aferoside C
(-)-Aferoside C
Formula C38H60O12
Mw 708.40847738
CAS RN 197151-33-0
C_ID C00050326 ,
InChIKey HSFUKIRWXZECRI-UFPWPDQMNA-N
InChICode InChI=1S/C38H60O12/c1-19-7-12-38(46-16-19)20(2)28-26(50-38)14-25-23-6-5-21-13-22(8-10-35(21,3)24(23)9-11-36(25,28)4)47-33-30(42)29(41)31(27(15-39)48-33)49-34-32(43)37(44,17-40)18-45-34/h5,19-20,22-34,39-44H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35+,36+,37-,38-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OC[C@@H](CC3)C)C)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCostaceaeCostus afer Ref.
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OrganismCostus afer
ReferenceLin,J.Nat.Prod.,60,(1997),1165