input word = C00007272

Metabolite InformationStructural formula
Name Episterol
Formula C28H46O
Mw 398.35486609
CAS RN 474-68-0
C_ID C00007272 ,
InChIKey BTCAEOLDEYPGGE-BDHZQHTANA-N
InChICode InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3/t20-,21+,22+,24+,25-,26-,27-,28-/m1/s1
SMILES C=C(CC[C@@H](C)C1CCC2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismSolanum lycopersicum
Referencehttps://doi.org/10.1038/nplants.2016.205