input word = C00060886

Metabolite InformationStructural formula
Name rhapontisterone R1
Formula C29H42O9
Mw 534.28288294
CAS RN 224566-10-3
C_ID C00060886
InChIKey IJJQJCUPAKIQOU-YVBMDEHISA-N
InChICode InChI=1S/C29H42O9/c1-25(2)14(9-23(35)38-25)8-22(34)28(5,36)21-6-7-29(37)16-11-17(30)15-10-18(31)19(32)12-26(15,3)24(16)20(33)13-27(21,29)4/h9,11,15,18-22,24,31-34,36-37H,6-8,10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,24+,26-,27+,28+,29+/m0/s1
SMILES CC1(C)OC(=O)C=C1CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3C(O)CC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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