input word = C00012692

Metabolite InformationStructural formula
Name Carindone
Formula C31H44O6
Mw 512.31378914
CAS RN 38045-62-4
C_ID C00012692 ,
InChIKey SKUVBRVOKSCXDJ-UHFFFAOYNA-N
InChICode InChI=1S/C31H44O6/c1-16-21-14-19(28(5,6)36)10-12-30(21,8)26-22(23(16)32)25(34)31(37-26)15-29(7)11-9-18(27(3,4)35)13-20(29)17(2)24(31)33/h18-19,22,26,35-36H,9-15H2,1-8H3/t18-,19+,22+,26-,29-,30+,31+/m1/s1
SMILES CC1=C2CC(C(C)(C)O)CCC2(C)CC2(OC3C(C(=O)C(C)=C4CC(C(C)(C)O)CCC43C)C2=O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCarissa carandas Ref.
PlantaeApocynaceaeCarissa laneolata R.Br. Ref.
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