input word = C00040208

Metabolite InformationStructural formula
Name Sampsonione O
(+)-Sampsonione O
Formula C33H42O5
Mw 518.30322445
CAS RN 1001232-23-0
C_ID C00040208 ,
InChIKey PHBDYBJOGVFIQU-OCGVDINTNA-N
InChICode InChI=1S/C33H42O5/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(38-28)31(7,8)37)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3/t23-,25+,32-,33+/m1/s1
SMILES CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum sampsonii Ref.
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