input word = C00003575

Metabolite InformationStructural formula
Name Collettiside III
Dioscin
Formula C45H72O16
Mw 868.48203625
CAS RN 19057-60-4
C_ID C00003575 ,
InChIKey VNONINPVFQTJOC-KGDIGVFGNA-N
InChICode InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42+,43+,44+,45-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H](CC1)C)C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium ampeloprasum Ref.
PlantaeAsparagaceaeAsparagus cochinchinensis Ref.
PlantaeAsparagaceaeAsparagus officinalis Ref.
PlantaeConvallariaceaePolygonatum zanlanscianense Ref.
PlantaeCostaceaeCostus afer Ref.
PlantaeCostaceaeCostus spp. Ref.
PlantaeDioscoreaceaeDioscorea althaeoides Ref.
PlantaeDioscoreaceaeDioscorea batatas Ref.
PlantaeDioscoreaceaeDioscorea bulbifera var.sativa Ref.
PlantaeDioscoreaceaeDioscorea cayenensis Ref.
PlantaeDioscoreaceaeDioscorea collettii Ref.
PlantaeDioscoreaceaeDioscorea draco Ref.
PlantaeDioscoreaceaeDioscorea futschauensis Ref.
PlantaeDioscoreaceaeDioscorea gracillima Ref.
PlantaeDioscoreaceaeDioscorea hypoglauca Ref.
PlantaeDioscoreaceaeDioscorea japonica Ref.
PlantaeDioscoreaceaeDioscorea nipponica Ref.
PlantaeDioscoreaceaeDioscorea panthaica Ref.
PlantaeDioscoreaceaeDioscorea parviflora Ref.
PlantaeDioscoreaceaeDioscorea pseudojaponica Ref.
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
PlantaeDioscoreaceaeDioscorea spp. Ref.
PlantaeDioscoreaceaeDioscorea tokoro Makino. Ref.
PlantaeDioscoreaceaeDioscorea villosa Ref.
PlantaeDioscoreaceaeDioscorea zingiberensis Ref.
PlantaeFabaceaeTrigonella spp. Ref.
PlantaeMenispermaceaeStephania cepharantha Ref.
PlantaePoaceaePhragmites communis Ref.
PlantaeRuscaceaeSmilacina atropurpurea Ref.
PlantaeSmilacaceaeSmilax china Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum sodomaeum Ref.
PlantaeTrilliaceaeParis polyphylla Ref.
PlantaeTrilliaceaeParis spp. Ref.
PlantaeTrilliaceaeTrillium erectum Ref.
PlantaeTrilliaceaeTrillium spp. Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
zoom in