input word = C00003682

Metabolite InformationStructural formula
Name Cucurbitacin A
Formula C32H46O9
Mw 574.31418307
CAS RN 6040-19-3
C_ID C00003682 ,
InChIKey IHTCCHVMPGDDSL-JEWXSFAPNA-N
InChICode InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
SMILES [C@H]1(C(=O)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
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
PlantaeCucurbitaceaeCucumis hookeri Ref.
PlantaeCucurbitaceaeCucumis leptodermis Ref.
PlantaeCucurbitaceaeCucumis melo Ref.
PlantaeCucurbitaceaeCucumis myriocarpus Ref.
PlantaePlantaginaceaeGratiola officinalis Ref.
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