input word = C00057273

Metabolite InformationStructural formula
Name Palmitoylstigmasterol
Formula C45H78O2
Mw 650.60018173
CAS RN 2308-84-1
C_ID C00057273
InChIKey OHLDETMXEXJUDZ-SYYHSBNDSA-N
InChICode InChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILES C[C@@]12[C@@]3([H])CC[C@@]4(C)[C@](CC[C@@]4([C@H](C)/C=C/[C@@H](CC)C(C)C)[H])([H])[C@]3([H])CC=C1C[C@@H](OC(CCCCCCCCCCCCCCC)=O)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
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