input word = C00029742

Metabolite InformationStructural formula
Name 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 [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)(C(=O)/C=C/C(C)(C)OC(=O)C)O)O)C)C)C)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis melo Ref.
PlantaeCucurbitaceaeLuffa operculata Ref.
PlantaeMalvaceaeHelicteres angustifolia Ref.
PlantaeMyrsinaceaeAnagallis arvensis L. Ref.
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OrganismLuffa operculata
ReferenceKawahara,Chem.Pharm.Bull.,52,(2004),1018