input word = C00045418

Metabolite InformationStructural formula
Name Thorectandrol C
(-)-Thorectandrol C
Formula C27H40O5
Mw 444.28757439
CAS RN 425368-59-8
C_ID C00045418 ,
InChIKey DHZHHHTYJVQJEJ-HCLPBNDWNA-N
InChICode InChI=1S/C27H40O5/c1-17(10-11-22(29)21-14-25(30)31-16-21)12-13-26(5)19(3)23(32-20(4)28)15-27(6)18(2)8-7-9-24(26)27/h10,14,19,22-24,29H,2,7-9,11-13,15-16H2,1,3-6H3/b17-10+/t19-,22+,23+,24-,26-,27+/m0/s1
SMILES C1CC(=C)[C@@]2([C@@H](C1)[C@]([C@H]([C@@H](C2)OC(=O)C)C)(CC/C(=C/C[C@H](C1=CC(=O)OC1)O)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Thorectandra sp. Ref.
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