input word = C00007519

Metabolite InformationStructural formula
Name (22S,22R)-22-Hydroxyergost-4-en-3-one
Formula C28H46O2
Mw 414.34978071
CAS RN 208586-81-6
C_ID C00007519 ,
InChIKey FMFAICDKESPFNH-CWQPATNDNA-N
InChICode InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23+,24-,25+,26+,27+,28+/m1/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@@H]2[C@@](CC1)([C@@H](CC2)[C@H](C)[C@H](C[C@H](C(C)C)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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