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 C1(=O)[C@@]2([C@H]([C@]3([C@](C1)([C@H]([C@@H](C3)O)[C@@](C(=O)CCC(C)(C)O)(C)O)C)C)CC=C1[C@H]2C[C@@H](C(=O)C1(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis melo Ref.
PlantaeCucurbitaceaeEcballium elaterium Ref.
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OrganismCucumis melo
ReferenceChen,J.Nat.Prod.,72,(2009),824