input word = C00034317

Metabolite InformationStructural formula
Name Tomoeone A
(+)-Tomoeone A
Formula C30H44O6
Mw 500.31378914
CAS RN 1065480-62-7
C_ID C00034317 ,
InChIKey KQTPSADZOFBZMJ-ACQAJRKTNA-N
InChICode InChI=1S/C30H44O6/c1-17(2)9-13-29(14-10-18(3)4)24(32)22(23(31)19(5)6)25(33)30(26(29)34)15-21-20(28(8,36)16-30)11-12-27(21,7)35/h9-10,19-21,32,35-36H,11-16H2,1-8H3/t20-,21+,27-,28-,30-/m1/s1
SMILES CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum ascyron Ref.
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