input word = C00036612

Metabolite InformationStructural formula
Name 6-Deoxo-24-epicastasterone
Formula C28H50O4
Mw 450.37091008
CAS RN 169869-41-4
C_ID C00036612 ,
InChIKey VXBLCLVRWCLEOX-MFZXGMGFNA-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+/m1/s1
SMILES [C@@H]1([C@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)([C@H](CC2)[C@@H]([C@H]([C@@H]([C@@H](C(C)C)C)O)O)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOrnithopus sativus Brot. Ref.
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