input word = C00048125

Metabolite InformationStructural formula
Name Sipholenone E
(-)-Sipholenone E
Formula C30H50O4
Mw 474.37091008
CAS RN 1169792-76-0
C_ID C00048125 ,
InChIKey DPIZIYOJDMMKNP-NPGTYDRYNA-N
InChICode InChI=1S/C30H50O4/c1-19-9-11-21-25(26(2,3)17-18-29(21,7)32)20(19)10-12-22-28(6)15-13-23(31)27(4,5)34-24(28)14-16-30(22,8)33/h10,19,21-22,24-25,32-33H,9,11-18H2,1-8H3/b20-10+/t19-,21+,22+,24+,25-,28+,29+,30+/m1/s1
SMILES C[C@@H]1CC[C@H]2[C@@H](/C1=C/C[C@H]1[C@]3(C)CCC(=O)C(C)(C)O[C@H]3CC[C@]1(C)O)C(C)(C)CC[C@]2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia siphonella Ref.
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OrganismCallyspongia siphonella
ReferenceJain,J.Nat.Prod.,72,(2009),1291