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 CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1C[C@H]1[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)C(=O)[C@@H]2CC[C@]14C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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