input word = C00003684

Metabolite InformationStructural formula
Name Cucurbitacin C
Formula C32H48O8
Mw 560.33491851
CAS RN 5988-76-1
C_ID C00003684 ,
InChIKey DGIGXLXLGBAJJN-KYGGLZRENA-N
InChICode InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
SMILES C1[C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@](C(=O)/C=C/C(C)(C)OC(=O)C)(O)C)O)C)C)CO)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia alba Ref.
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
PlantaeCucurbitaceaeCucumis sativus Ref.
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