input word = C00042963

Metabolite InformationStructural formula
Name Scabrans G4
(-)-Scabrans G4
Formula C34H50O24
Mw 842.26920253
CAS RN 857665-61-3
C_ID C00042963 ,
InChIKey DFVLIZPLEYDJGZ-SJSWIACZNA-N
InChICode InChI=1S/C34H50O24/c1-2-10-11-3-4-49-29(48)12(11)6-50-30(10)58-34-28(47)24(43)20(39)16(57-34)9-53-33-27(46)23(42)19(38)15(56-33)8-52-32-26(45)22(41)18(37)14(55-32)7-51-31-25(44)21(40)17(36)13(5-35)54-31/h2-3,6,10,13-28,30-47H,1,4-5,7-9H2/t10-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28-,30+,31-,32-,33-,34+/m1/s1
SMILES C1OC(=O)C2=CO[C@H]([C@@H](C2=C1)C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana scabra Ref.
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