input word = C00048349

Metabolite InformationStructural formula
Name Carthamosterone B
Formula C28H44O9
Mw 524.298533
CAS RN 86583-59-7
C_ID C00048349 ,
InChIKey JOLKVOVVLSTPTC-UHFFFAOYNA-N
InChICode InChI=1S/C28H44O9/c1-24-14-20(31)19(30)13-17(24)18(29)12-16-15(24)6-9-25(2)21(7-11-28(16,25)36)27(4,35)22(32)8-10-26(3,34)23(33)37-5/h12,15,17,19-22,30-32,34-36H,6-11,13-14H2,1-5H3/t15-,17+,19+,20+,21+,22-,24+,25-,26-,27+,28+/m1/s1
SMILES C1[C@@H]2C(=CC(=O)[C@H]3[C@]2(C[C@@H]([C@H](C3)O)O)C)[C@@]2([C@](C1)([C@H](CC2)[C@@]([C@@H](CC[C@@](C(=O)OC)(C)O)O)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
zoom in