input word = C00046461

Metabolite InformationStructural formula
Name Thorectandrol B
(-)-Thorectandrol B
Formula C27H40O5
Mw 444.28757439
CAS RN 346578-58-3
C_ID C00046461 ,
InChIKey QNRWFUMAJPIGRH-OMDHYYHDNA-N
InChICode InChI=1S/C27H40O5/c1-18(9-10-23-22(16-28)15-25(30)32-23)11-14-27(17-31-21(4)29)20(3)12-13-26(5)19(2)7-6-8-24(26)27/h9,15,20,23-24,28H,2,6-8,10-14,16-17H2,1,3-5H3/b18-9+/t20-,23+,24+,26+,27-/m0/s1
SMILES [C@@H]1(CC[C@]2([C@H]([C@@]1(CC/C(=C/C[C@@H]1C(=CC(=O)O1)CO)/C)COC(=O)C)CCCC2=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Thorectandra sp. Ref.
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