input word = C00003579

Metabolite InformationStructural formula
Name Gracillin
Formula C45H72O17
Mw 884.47695088
CAS RN 19083-00-2
C_ID C00003579 ,
InChIKey YQEMAEKYNNOCBY-HMOFGMDINA-N
InChICode InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,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)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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
PlantaeConvallariaceaePolygonatum zanlanscianense Ref.
PlantaeCostaceaeCostus speciosus Ref.
PlantaeDioscoreaceaeDioscorea althaeoides Ref.
PlantaeDioscoreaceaeDioscorea collettii var.hypoglauca Ref.
PlantaeDioscoreaceaeDioscorea fustchauensis Ref.
PlantaeDioscoreaceaeDioscorea futschauensis Ref.
PlantaeDioscoreaceaeDioscorea gracillima Ref.
PlantaeDioscoreaceaeDioscorea panthaica Ref.
PlantaeDioscoreaceaeDioscorea parviflora Ref.
PlantaeDioscoreaceaeDioscorea pseudojaponica Ref.
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
PlantaeDioscoreaceaeDioscorea spp. Ref.
PlantaeDioscoreaceaeDioscorea zingiberensis Ref.
PlantaeSmilacaceaeSmilax china Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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