input word = C00022206

Metabolite InformationStructural formula
Name Trixagotriol
Formula C20H36O3
Mw 324.26644502
CAS RN 83631-56-5
C_ID C00022206 ,
InChIKey IHNSIOSAGOBQIP-LQUNNCADNA-N
InChICode InChI=1S/C20H36O3/c1-15(11-14-21)8-9-18(22)20(5,23)13-10-17-16(2)7-6-12-19(17,3)4/h11,17-18,21-23H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18-,20+/m1/s1
SMILES C1CCC(=C)[C@H](C1(C)C)CC[C@]([C@@H](CC/C(=C/CO)/C)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeBellardia trixago Ref.
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OrganismBellardia trixago
ReferenceDe Pascual,Tetrahedron,38,(1982),1837