input word = C00047824

Metabolite InformationStructural formula
Name Cucurbitacin R
Formula C30H46O7
Mw 518.32435382
CAS RN 55903-92-9
C_ID C00047824 ,
InChIKey ITMUUFDDBRYVNJ-YDSFPYMKNA-N
InChICode InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
SMILES CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis melo Ref.
PlantaeCucurbitaceaeEcballium elaterium Ref.
zoom in