input word = C00003690

Metabolite InformationStructural formula
Name Cucurbitacin J
Formula C30H44O8
Mw 532.30361838
CAS RN 5979-41-9
C_ID C00003690 ,
InChIKey FBGLZDYMEULGSX-OQMAPOQMNA-N
InChICode InChI=1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20+,23+,27+,28-,29+,30+/m1/s1
SMILES C1(=C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@H]([C@@H]2[C@](C(=O)C[C@@H](C(C)(C)O)O)(O)C)O)C)C)C)C(C1=O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia alba Ref.
PlantaeCucurbitaceaeBryonia dioica Ref.
PlantaeCucurbitaceaeCitrullus ecirhosus Ref.
PlantaeCucurbitaceaeCitrullus naudinianus Ref.
PlantaeMalvaceaeHelicteres angustifolia Ref.
zoom in



OrganismBryonia dioica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter57