input word = C00036961

Metabolite InformationStructural formula
Name Cucurbitacin J 2-O-beta-glucopyranoside
(-)-Cucurbitacin J 2-O-beta-glucopyranoside
Formula C36H54O13
Mw 694.35644181
CAS RN 415711-04-5
C_ID C00036961 ,
InChIKey XPEAYHKXEWXAKV-JVKGISJZNA-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 CC1(C)C(=O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H]2C1=CC[C@@H]1[C@@]2(C)C(=O)C[C@]2(C)[C@@H]([C@@](C)(O)C(=O)C[C@H](O)C(C)(C)O)[C@H](O)C[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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OrganismTrichosanthes tricuspidata
ReferenceKanchanapoom,Phytochem.,59,(2002),215