input word = C00029822

Metabolite InformationStructural formula
Name beta-Sitosteryl stearate
Formula C47H84O2
Mw 680.64713192
CAS RN 34137-25-2
C_ID C00029822 ,
InChIKey ZXGIHLGVUYXAEI-YYJOGQKYNA-N
InChICode InChI=1S/C47H84O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h27,36-38,40-44H,8-26,28-35H2,1-7H3/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC[C@H](C(C)C)CC)C)C)OC(=O)CCCCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiElaphomycetaceaeMonascus pilosus BCRC38072 Ref.
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OrganismMonascus pilosus BCRC38072
ReferenceCheng,Chem.Pharm.Bull.,56,(2008),394