input word = C00022200

Metabolite InformationStructural formula
Name Trixagodiol C
Formula C20H34O2
Mw 306.25588033
CAS RN 83631-57-6
C_ID C00022200 ,
InChIKey OYWXIDXYJOXDPL-IGBIRMLWNA-N
InChICode InChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h9,12,18-19,21-22H,2,6-8,10-11,13-14H2,1,3-5H3/b15-12+,17-9+/t18-,19+/m1/s1
SMILES C1CCC(=C)[C@H](C1(C)C)C/C=C(/[C@H](CC/C(=C/CO)/C)O)\C
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