input word = C00030034

Metabolite InformationStructural formula
Name Bryoamaride
Cucurbitacin L 2-O-beta-D-glucopyranoside
Formula C36H54O12
Mw 678.36152719
CAS RN 61105-51-9
C_ID C00030034 ,
InChIKey QCAZYVAEXLGYLV-DUHKSEBRNA-N
InChICode InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
SMILES CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia dioica Ref.
PlantaeCucurbitaceaeCitrullus colocynthis (L.) Ref.
PlantaeCucurbitaceaeGymnopetalum integrifolium Ref.
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