input word = C00056566

Metabolite InformationStructural formula
Name Z-Feruloyldihydro-beta-sitosterol
Formula C39H60O4
Mw 592.4491604
CAS RN 117857-72-4
C_ID C00056566
InChIKey RAKOKKNCCBUUMP-ZVGXIXLSSA-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 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)/C=C\c5ccc(O)c(OC)c5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeCoix lacryma-jobiand Ref.
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