input word = C00002259

Metabolite InformationStructural formula
Name Solacapine
Formula C27H48N2O2
Mw 432.37157879
CAS RN 63785-22-8
C_ID C00002259 ,
InChIKey SSDNUGHQUZHHEE-CAHHFJPHNA-N
InChICode InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1
SMILES N[C@@H]1C[C@H]2[C@](CC1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H]([C@@H](C2)O)[C@@H]([C@H]1NC[C@@H](C[C@@H]1O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum pseudocapsicum Ref.
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