input word = C00021096

Metabolite InformationStructural formula
Name Rudmollitrin
Formula C17H24O5
Mw 308.16237388
CAS RN 76467-21-5
C_ID C00021096 ,
InChIKey RRFWQKAQYSNZEU-PWMABXJFNA-N
InChICode InChI=1S/C17H24O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9-10,12-13,15H,4-8H2,1-3H3/t9-,10-,12-,13-,15+,17-/m0/s1
SMILES [C@@H]12[C@]([C@H]3[C@@H](CC[C@@H]1C)[C@@H](C(=O)O3)C)(C(=O)CC2)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRudbeckia mollis Ref.
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