input word = C00055930

Metabolite InformationStructural formula
Name Ilelatifol B
Formula C29H42O5
Mw 470.30322445
CAS RN 326601-71-2
C_ID C00055930
InChIKey VFZSYTHAENITJI-RKKMDGHPSA-N
InChICode InChI=1S/C29H42O5/c1-24(2)8-10-28-11-9-27(5)26(4)7-6-16-20(31)21(32)18(30)13-25(16,3)22(26)15-12-17(15)29(27,19(28)14-24)34-23(28)33/h15-19,21-22,30,32H,6-14H2,1-5H3/t15-,16+,17+,18-,19-,21+,22-,25+,26-,27+,28+,29+/m1/s1
SMILES O[C@H]1[C@H](O)C([C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]56CCC(C)(C)C[C@@]5([H])[C@@]4(OC6=O)[C@]7([H])[C@](C7)([H])[C@]3([H])[C@@]2(C)C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
zoom in