input word = C00001154

Metabolite InformationStructural formula
Name Verbascose
Formula C30H52O26
Mw 828.27468184
CAS RN 546-62-3
C_ID C00001154 ,
InChIKey FLUADVWHMHPUCG-IFGXZQOTNA-N
InChICode InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8+,9-,10-,11+,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@H](O[C@H]1CO)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]1([C@H](O)[C@H]([C@@H](CO)O1)O)CO)O)O)O)O)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus albus Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeScrophulariaceaeVerbascum thapsus Ref.
PlantaeVerbenaceaeLantana camara Ref.
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