input word = C00055653

Metabolite InformationStructural formula
Name 28-O-beta-D-glucopyranosyl pomolic acid
Formula C36H58O9
Mw 634.40808345
CAS RN 83725-24-0
C_ID C00055653
InChIKey RRIMLWHUVCZACL-HPUCWRFUSA-N
InChICode InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
SMILES O[C@H]1CC[C@@]2(C)[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)CC[C@]5(C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)=O)[C@@]4([H])[C@](C)(O)[C@H](C)CC5)([H])C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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