input word = C00040210

Metabolite InformationStructural formula
Name Sampsonione Q
(-)-Sampsonione Q
Formula C33H40O5
Mw 516.28757439
CAS RN 1001232-25-2
C_ID C00040210 ,
InChIKey CVRGNVXISHMROR-BARNZWHMNA-N
InChICode InChI=1S/C33H40O5/c1-19(2)14-16-31-18-22-23(25-30(7,8)38-25)32(26(31)35,17-15-20(3)4)28(37)33(27(31)36,29(22,5)6)24(34)21-12-10-9-11-13-21/h9-15,22-23,25H,16-18H2,1-8H3/t22-,23+,25+,31+,32-,33+/m0/s1
SMILES [C@@]12(C(=O)[C@@]3(C(=O)[C@](C1=O)(C([C@@H](C3)[C@@H]2[C@H]1OC1(C)C)(C)C)C(=O)c1ccccc1)CC=C(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum sampsonii Ref.
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