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.
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