input word = C00044814

Metabolite InformationStructural formula
Name Hyperatomarin
Formula C25H36O4
Mw 400.26135964
CAS RN 610789-35-0
C_ID C00044814 ,
InChIKey VENDSUCOZZAVBB-BTAQWRRCNA-N
InChICode InChI=1S/C25H36O4/c1-14(2)9-8-12-25(7)17(11-10-15(3)4)13-18-22(27)19(21(26)16(5)6)24(29)20(25)23(18)28/h9-10,16-18,20,29H,8,11-13H2,1-7H3/t17-,18+,20+,25+/m1/s1
SMILES C1(=C([C@H]2[C@]([C@@H](C[C@@H](C1=O)C2=O)CC=C(C)C)(CCC=C(C)C)C)O)C(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum atomarium ssp. degenii Ref.
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