input word = C00048531

Metabolite InformationStructural formula
Name Sargaol acetate
Formula C29H40O3
Mw 436.29774514
CAS RN 1188421-80-8
C_ID C00048531 ,
InChIKey UCHDEFJNGJCEHE-JWIKZEKMNA-N
InChICode InChI=1S/C29H40O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h11,13,15-16,18-20H,8-10,12,14,17H2,1-7H3/b22-13+,23-15+/t29-/m1/s1
SMILES c1c(cc2c(c1C)O[C@@](C=C2)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataDictyotaceaeStypopodium flabelliforme Ref.
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