input word = C00007275

Metabolite InformationStructural formula
Name Cathasterone
Formula C28H48O3
Mw 432.3603454
CAS RN 168146-23-4
C_ID C00007275 ,
InChIKey JSVPGVHCEQDJCZ-KOPHBEPPNA-N
InChICode InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18+,19+,20+,21+,22-,23+,24-,25+,27+,28-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@@H]2[C@@](CC1)([C@@H](CC2)[C@@H]([C@H](C[C@H](C(C)C)C)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus G.Don. Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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