input word = C00044267

Metabolite InformationStructural formula
Name Neriifolione
(-)-Neriifolione
Formula C30H48O2
Mw 440.36543078
CAS RN 211686-31-6
C_ID C00044267 ,
InChIKey ZRDDQHIGRYPZAI-GZPDPCEXNA-N
InChICode InChI=1S/C30H48O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h19,21-24,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
SMILES C=C(CCC(O)C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia neriifolia Ref.
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