input word = C00046043

Metabolite InformationStructural formula
Name Sorghumol
Isoarborinol
Formula C30H50O
Mw 426.38616622
CAS RN 5532-41-2
C_ID C00046043 ,
InChIKey VWYANPOOORUCFJ-YLFANVDPNA-N
InChICode InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22+,23-,24-,25-,27+,28-,29-,30+/m0/s1
SMILES CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBromeliaceaeGreigia sphacelata Ref.
PlantaeHydrangeaceaeHydrangea chinensis Ref.
PlantaePoaceaeImperata cylindrica Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeSorghum bicolor Ref.
PlantaeRubiaceaeHedyotis acutangula Ref.
PlantaeRubiaceaeRubia oncotricha Ref.
PlantaeRutaceaeGlycosmis arborea Ref.
PlantaeRutaceaeOrixa japonica Ref.
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