input word = C00055725

Metabolite InformationStructural formula
Name asprellol C
Formula C29H38O6
Mw 482.26683895
CAS RN 1567734-46-6
C_ID C00055725
InChIKey KWBIRJSXSLHXJS-KJTHUHFYSA-N
InChICode InChI=1S/C29H38O6/c1-14-18-15(30)12-26(5)21(25(18,4)11-16(31)19(14)32)20-22(34-20)29-17-13-24(2,3)7-9-28(17,23(33)35-29)10-8-27(26,29)6/h11,15,17,20-22,30-31H,7-10,12-13H2,1-6H3/t15-,17-,20+,21-,22+,25+,26-,27+,28+,29-/m1/s1
SMILES CC1=C2[C@H](O)C[C@]3(C)[C@H]([C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@]53C)[C@@]2(C)C=C(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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