input word = C00000199

Metabolite InformationStructural formula
Name 6-Deoxocastasterone
Formula C28H50O4
Mw 450.37091008
CAS RN 87833-54-3
C_ID C00000199 ,
InChIKey VXBLCLVRWCLEOX-DQLZRBBHNA-N
InChICode InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27-,28-/m0/s1
SMILES [C@@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@H]([C@H]3[C@@](CC1)([C@H](CC3)[C@@H]([C@H]([C@H](O)[C@@H](C)C(C)C)O)C)C)CC2)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaeDolichos lablab Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFagaceaeCastanea crenata Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePoaceaeTriticum aestivum Ref.
zoom in