input word = C00039269

Metabolite InformationStructural formula
Name Gibberosene E
(+)-Gibberosene E
Formula C24H36O5
Mw 404.25627426
CAS RN 1005397-94-3
C_ID C00039269 ,
InChIKey BEGZWCKKXIZDII-PNFMDSEXNA-N
InChICode InChI=1S/C24H36O5/c1-15(2)21-13-11-16(3)9-8-10-17(4)22(27)14-12-18(5)23(28-19(6)25)24(21)29-20(7)26/h10-13,15,22-24,27H,8-9,14H2,1-7H3/b16-11+,17-10+,18-12+,21-13-/t22-,23+,24+/m0/s1
SMILES C\1(=C/CC/C(=C/C=C(\[C@H]([C@@H](/C(=C/C[C@@H]1O)/C)OC(=O)C)OC(=O)C)/C(C)C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simularia gibberosa Ref.
--Sinularia gibberosa Ref.
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OrganismSimularia gibberosa
ReferenceAhmed,J.Nat.Prod.,71,(2008),179