input word = C00048347

Metabolite InformationStructural formula
Name Carthamosterone
Formula C29H42O8
Mw 518.28796832
CAS RN 114805-00-4
C_ID C00048347 ,
InChIKey CCCCNNJVLKLLKV-ATCSMSPENA-N
InChICode InChI=1S/C29H42O8/c1-25(2)15(11-24(34)37-25)10-23(33)28(5,35)22-7-9-29(36)17-12-19(30)18-13-20(31)21(32)14-26(18,3)16(17)6-8-27(22,29)4/h11-12,16,18,20-23,31-33,35-36H,6-10,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,26+,27+,28+,29+/m0/s1
SMILES CC1(C)OC(=O)C=C1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
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