input word = C00064427

Metabolite InformationStructural formula
Name Stigmastane
Formula C29H52
Mw 400.40690166
CAS RN 601-58-1
C_ID C00064427
InChIKey GKBHKNPLNHLYHT-LWQAOISPSA-N
InChICode InChI=1S/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23?,24+,25-,26+,27+,28+,29-/m1/s1
SMILES CCC(CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex induratus Ref.
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