input word = C00048428

Metabolite InformationStructural formula
Name Inokosterone 20,22-acetonide
Formula C30H48O7
Mw 520.34000389
CAS RN 915217-20-8
C_ID C00048428 ,
InChIKey SFPZTLYGGVFTEJ-ZGIPZDTPNA-N
InChICode InChI=1S/C30H48O7/c1-17(16-31)7-8-25-29(6,37-26(2,3)36-25)24-10-12-30(35)19-13-21(32)20-14-22(33)23(34)15-27(20,4)18(19)9-11-28(24,30)5/h13,17-18,20,22-25,31,33-35H,7-12,14-16H2,1-6H3/t17-,18-,20-,22+,23-,24-,25+,27+,28+,29+,30+/m0/s1
SMILES CC(CO)CCC1OC(C)(C)O[C@]1(C)[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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