input word = C00045484

Metabolite InformationStructural formula
Name (22E)-Cholesta-4,6,8(14),22-tetraen-3-one
Formula C27H38O
Mw 378.29226583
CAS RN 126149-90-4
C_ID C00045484 ,
InChIKey AJRNPFZYKICTEM-CQQDHGBLNA-N
InChICode InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23+,25-,26-,27+/m0/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1C(=C3[C@](CC1)([C@H](CC3)[C@H](/C=C/CC(C)C)C)C)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeDaldinia concentrica Ref.
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OrganismDaldinia concentrica
ReferenceQuang,J.Nat.Prod.,65,(2002),1869