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 C1C2=C(C(=O)[C@@H]3[C@H]([C@]2(CC[C@@H]1C(C)(C)O)C)O[C@@]1(C3=O)C[C@@]2(C(=C(C1=O)C)C[C@@H](CC2)C(C)(C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCarissa carandas Ref.
PlantaeApocynaceaeCarissa laneolata R.Br. Ref.
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OrganismCarissa laneolata R.Br.
ReferenceLindsay,Phytochem.,55,(2000),403