input word = C00050815

Metabolite InformationStructural formula
Name Ilekudinol B
Formula C29H44O4
Mw 456.32395989
CAS RN 242794-72-5
C_ID C00050815
InChIKey PMCODVSMBWEYII-WMTQRMILNA-N
InChICode InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)/t16-,17+,19+,21-,22-,23+,24-,26+,27-,28-,29+/m1/s1
SMILES C=C1[C@@H](O)[C@H](O)C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(OC=O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
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OrganismIlex kudingcha
ReferenceXie, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 85