input word = C00048521

Metabolite InformationStructural formula
Name Rapisterone
Formula C29H48O7
Mw 508.34000389
CAS RN 113900-73-5
C_ID C00048521 ,
InChIKey MDPPDNUIYZZMBK-UHFFFAOYNA-N
InChICode InChI=1S/C29H48O7/c1-7-16(15(2)3)24(33)25(34)28(6,35)23-9-11-29(36)18-12-20(30)19-13-21(31)22(32)14-26(19,4)17(18)8-10-27(23,29)5/h12,15-17,19,21-25,31-36H,7-11,13-14H2,1-6H3/t16-,17+,19-,21-,22-,23+,24+,25+,26-,27+,28+,29-/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@](O)([C@@H](O)[C@H]([C@@H](C(C)C)CC)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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