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 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)[C@H](CC2)[C@]1(OC(O[C@@H]1CC[C@H](C)CO)(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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