input word = C00055724

Metabolite InformationStructural formula
Name asprellol B
Formula C29H36O6
Mw 480.25118888
CAS RN 1567734-44-4
C_ID C00055724
InChIKey TVKPLQPCPKPRMS-DNXUOPEWSA-N
InChICode InChI=1S/C29H36O6/c1-13-7-8-28-10-9-27(6)26(5)12-16(30)18-15(3)19(32)17(31)11-25(18,4)22(26)20-23(34-20)29(27,35-24(28)33)21(28)14(13)2/h11,14,16,20-23,30-31H,1,7-10,12H2,2-6H3/t14-,16+,20-,21+,22+,23-,25-,26+,27-,28-,29+/m0/s1
SMILES O=C(O1)[C@@]2(CC3)CC[C@@]4(C)[C@]5(C)C[C@@H](O)C6=C(C)C(C(O)=C[C@]6(C)[C@@]5([H])[C@@]7([H])[C@@](O7)([H])[C@]41[C@]2([H])[C@@H](C)C3=C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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