input word = C00045420

Metabolite InformationStructural formula
Name Thorectandrol E
(-)-Thorectandrol E
Formula C25H38O4
Mw 402.2770097
CAS RN 425368-64-5
C_ID C00045420 ,
InChIKey YPTKOYKREVMBEA-MVDDZTLZNA-N
InChICode InChI=1S/C25H38O4/c1-16(9-10-20(26)19-13-23(28)29-15-19)11-12-24(4)18(3)21(27)14-25(5)17(2)7-6-8-22(24)25/h9,13,18,20-22,26-27H,2,6-8,10-12,14-15H2,1,3-5H3/b16-9+/t18-,20+,21+,22-,24-,25+/m0/s1
SMILES C=C1CCC[C@H]2[C@](C)(CC/C(C)=C/C[C@@H](O)C3=CC(=O)OC3)[C@@H](C)[C@H](O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Thorectandra sp. Ref.
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OrganismThorectandra sp.
ReferenceCharan,J.Nat.Prod.,65,(2002),492