input word = C00056565

Metabolite InformationStructural formula
Name Feruloyldihydro-beta-sitosterol
Formula C39H60O4
Mw 592.4491604
CAS RN 117857-70-2
C_ID C00056565
InChIKey RAKOKKNCCBUUMP-HNBUMGCJSA-N
InChICode InChI=1S/C39H60O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29+,30+,31+,32-,33+,34+,38+,39-/m1/s1
SMILES [H][C@]1([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](OC(/C=C/C5=CC(OC)=C(O)C=C5)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCoix lacryma-jobi Ref.
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