input word = C00048269

Metabolite InformationStructural formula
Name 24(28)-Dehydroamarasterone B
Formula C29H46O7
Mw 506.32435382
CAS RN 196213-11-3
C_ID C00048269 ,
InChIKey JHBBUAIBYMEEGM-QZOBVHLHNA-N
InChICode InChI=1S/C29H46O7/c1-16(2)17(8-11-30)12-25(34)28(5,35)24-7-10-29(36)19-13-21(31)20-14-22(32)23(33)15-26(20,3)18(19)6-9-27(24,29)4/h8,13,16,18,20,22-25,30,32-36H,6-7,9-12,14-15H2,1-5H3/b17-8-/t18-,20-,22+,23-,24-,25+,26+,27+,28+,29+/m0/s1
SMILES [C@]12([C@@](C3=CC(=O)[C@H]4[C@@]([C@H]3CC1)(C[C@@H]([C@@H](C4)O)O)C)(O)CC[C@@H]2[C@@](C)(O)[C@@H](C/C(=C/CO)/C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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OrganismRhaponticum carthamoides
ReferenceKokoska,Phytochem.,70,(2009),842