input word = C00033232

Metabolite InformationStructural formula
Name Myricalactone
(+)-Myricalactone
Formula C30H40O4
Mw 464.29265977
CAS RN 189681-48-9
C_ID C00033232 ,
InChIKey NNYQTGAHXKZEPT-CQSXNFDPNA-N
InChICode InChI=1S/C30H40O4/c1-25(2)12-14-30-15-13-27(5)17(22(30)23(25)34-24(30)33)8-9-19-28(27,6)11-10-18-26(3,4)20(31)16-21(32)29(18,19)7/h8-9,18-19,23H,10-16H2,1-7H3/t18-,19-,23+,27+,28+,29-,30-/m0/s1
SMILES C1C(=O)C([C@H]2[C@](C1=O)([C@@H]1[C@@](CC2)([C@]2(C(=C3[C@@]4(CC2)CCC([C@@H]3OC4=O)(C)C)C=C1)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica cerifera L. Ref.
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