input word = C00000200

Metabolite InformationStructural formula
Name 3-epi-6-Deoxocastasterone
Formula C28H50O4
Mw 450.37091008
CAS RN
C_ID C00000200 ,
InChIKey VXBLCLVRWCLEOX-VXSFHOKZNA-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
PlantaeFabaceaePhaseolus vulgaris Ref.
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