input word = C00030032

Metabolite InformationStructural formula
Name Cucurbitacin K 2-O-beta-D-glucopyranoside
Cucurbitacin K 2-O-beta-glucopyranoside
Formula C36H54O13
Mw 694.35644181
CAS RN 415711-05-6
C_ID C00030032 ,
InChIKey XPEAYHKXEWXAKV-DDJGDBTFNA-N
InChICode InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20-,21+,22-,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
SMILES C12=CC[C@@H]3[C@]([C@@H]1C=C(C(=O)C2(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@@](C(=O)C[C@H](C(C)(C)O)O)(C)O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCitrullus colocynthis (L.) Ref.
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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