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 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](CC1=CC(=O)OC1(C)C)O)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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