input word = C00057797

Metabolite InformationStructural formula
Name Zizyberanal acid
Formula C30H44O5
Mw 484.31887452
CAS RN 1167421-91-1
C_ID C00057797
InChIKey VDSRNVXJCUZTBQ-WVIZVEHTSA-N
InChICode InChI=1S/C30H44O5/c1-17(2)19-9-12-29(24(32)33)13-14-30(25(34)35)20(23(19)29)7-8-22-27(30,5)11-10-21-26(3,4)15-18(16-31)28(21,22)6/h16,18-23H,1,7-15H2,2-6H3,(H,32,33)(H,34,35)/t18-,19+,20-,21+,22+,23-,27-,28+,29+,30-/m1/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C=O)CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus jujuba Ref.
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