input word = C00003586

Metabolite InformationStructural formula
Name Protogracillin
Formula C51H84O23
Mw 1064.54033899
CAS RN 54848-30-5
C_ID C00003586 ,
InChIKey GMCGZPQYTRHQRU-GKZRAUSLNA-N
InChICode InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51-/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@](O2)(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)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
PlantaeCostaceaeCostus speciosus Ref.
PlantaeDioscoreaceaeDioscorea futschauensis Ref.
PlantaeDioscoreaceaeDioscorea gracillima Ref.
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
PlantaeDioscoreaceaeDioscorea tokoro Ref.
PlantaeDioscoreaceaeDioscorea zingiberensis Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
--Dioscora parviflora Ref.
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