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 O=C(O1)[C@@]23CC[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])CC(C)(C)CC3)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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