input word = C00029742

Metabolite InformationStructural formula
Name 2-O-beta-D-Glucopyranosylcucurbitacin B
Arvenin I
Formula C38H56O13
Mw 720.37209188
CAS RN 65247-27-0
C_ID C00029742 ,
InChIKey PQOVWWZVVIGRPP-VDLJEDCWNA-N
InChICode InChI=1S/C38H56O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-30,32,39,41,44-46,48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1
SMILES CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](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
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
PlantaeCucurbitaceaeCucumis melo Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
PlantaeCucurbitaceaeLuffa operculata Ref.
PlantaeMalvaceaeHelicteres angustifolia Ref.
PlantaeMyrsinaceaeAnagallis arvensis L. Ref.
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OrganismCucurbita sp.
Referencehttps://doi.org/10.1016/0031-9422(88)84112-8