input word = C00037107

Metabolite InformationStructural formula
Name Epibrassicasterol
Formula C28H46O
Mw 398.35486609
CAS RN 17472-78-5
C_ID C00037107 ,
InChIKey OILXMJHPFNGGTO-LFHJUQBONA-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/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataPelagophyceaeAureoumbra lagunensis Ref.
PlantaePosidoniaceaePosidonia oceanica Ref.
zoom in