input word = C00035335

Metabolite InformationStructural formula
Name Macdougallin
Formula C28H48O2
Mw 416.36543078
CAS RN 2126-69-4
C_ID C00035335 ,
InChIKey UABOMWGETQHETN-KUFSWIMPNA-N
InChICode InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h18-21,24-25,29-30H,7-17H2,1-6H3/t19-,20+,21-,24-,25+,26-,27-,28+/m1/s1
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1[C@@H](O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeMyrtillocactus geometrizans Ref.
PlantaeCactaceaePeniocereus macdougalli Ref.
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