input word = C00042079

Metabolite InformationStructural formula
Name Stigmast-7-enyl acetate
22-Dihydrospinasterol
Formula C31H52O2
Mw 456.3967309
CAS RN 14473-77-9
C_ID C00042079 ,
InChIKey MAIIZFGSYSUIIV-RDAJHHGFNA-N
InChICode InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,20-21,23-25,27-29H,8-11,13-19H2,1-7H3/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1C(=CC2)[C@H]2[C@](CC1)([C@H](CC2)[C@H](C)CC[C@H](C(C)C)CC)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare L.cv Mammut Ref.
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