input word = C00003581

Metabolite InformationStructural formula
Name Nuatigenin
Formula C27H42O4
Mw 430.30830983
CAS RN 6811-35-4
C_ID C00003581 ,
InChIKey NELZMZLNTYWIPD-BSMITSPPNA-N
InChICode InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/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)CC[C@@](O1)(C)CO)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
PlantaeSolanaceaeSolanum aculeatissimum Ref.
PlantaeSolanaceaeSolanum globiferum Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum sisymbriifolium Ref.
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OrganismSolanum aculeatissimum
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)