input word = C00022219

Metabolite InformationStructural formula
Name Erigerol
Formula C25H40O6
Mw 436.28248901
CAS RN 87462-32-6
C_ID C00022219 ,
InChIKey MWCGGWSXJQDZOY-XCUVKKLENA-N
InChICode InChI=1S/C25H40O6/c1-15(2)14-17(27)29-13-12-22(5)10-11-25(31-22)23(6)16(26)8-9-21(3,4)19(23)18(28)20-24(25,7)30-20/h14,16,18-20,26,28H,8-13H2,1-7H3/t16-,18+,19-,20+,22+,23-,24+,25-/m1/s1
SMILES CC(C)=CC(=O)OCC[C@]1(C)CC[C@@]2(O1)[C@]1(C)[C@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@H]1O[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeErigeron philadelphicus Ref.
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