input word = C00033628

Metabolite InformationStructural formula
Name Alisolide
Formula C26H36O4
Mw 412.26135964
CAS RN 1005191-17-2
C_ID C00033628 ,
InChIKey TUVXZFRJBJGPCX-AKFJQUAGNA-N
InChICode InChI=1S/C26H36O4/c1-15-13-20(29)30-26(15)12-11-24(5)18(26)14-16(27)21-23(4)9-8-19(28)22(2,3)17(23)7-10-25(21,24)6/h14-15,17,21H,7-13H2,1-6H3/t15-,17+,21+,23+,24+,25+,26+/m1/s1
SMILES C[C@@H]1CC(=O)O[C@@]12CC[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientale Ref.
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