input word = C00033923

Metabolite InformationStructural formula
Name Hugonone B
Formula C36H50O6
Mw 578.36073933
CAS RN 217197-53-0
C_ID C00033923 ,
InChIKey PQWZTIFQLLOKAH-NQSBRNCMNA-N
InChICode InChI=1S/C36H50O6/c1-30(2)19-10-9-18-25(33(19,6)15-13-23(30)38)27-29(40)35(8,42)26(18)28-34(7,41)24(39)17-21-32(5)14-12-22(37)31(3,4)20(32)11-16-36(21,27)28/h17,19-20,22,26-28,37,41-42H,9-16H2,1-8H3/t19-,20-,22+,26-,27-,28-,32-,33-,34-,35+,36-/m0/s1
SMILES CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@H]1[C@@H]2[C@]4(CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC(=O)[C@]2(C)O)[C@@H]3C(=O)[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeHugonia castaneifolia Ref.
PlantaeLinaceaeHugonia casteneifolia Ref.
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