input word = C00054433

Metabolite InformationStructural formula
Name Campestane-3,6-dione
Formula C28H46O2
Mw 414.34978071
CAS RN 88662-00-4
C_ID C00054433
InChIKey VETZNBAGZJYCQT-ORNLXYCVSA-N
InChICode InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-19,21-25H,7-16H2,1-6H3/t18-,19-,21+,22-,23+,24+,25-,27-,28-/m1/s1
SMILES CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaePhoenix dactylifera Ref.
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OrganismPhoenix dactylifera
ReferenceFernandez, M.I. et al., Phytochemistry, 1983, 22, 2087-2088 (Ergostane-3,6-dione)