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 C1[C@@H](C[C@H]2[C@](C1)(C1=C(C[C@@H]2O)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CCCC(C)C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeMyrtillocactus geometrizans Ref.
PlantaeCactaceaePeniocereus macdougalli Ref.
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