input word = C00056698

Metabolite InformationStructural formula
Name 27-Hydroxyisomangiferolic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 123563-64-4
C_ID C00056698
InChIKey YWPLTMNXKKXXII-CYWJYPAKSA-N
InChICode InChI=1S/C30H48O4/c1-19(7-6-8-20(17-31)25(33)34)21-11-13-28(5)23-10-9-22-26(2,3)24(32)12-14-29(22)18-30(23,29)16-15-27(21,28)4/h8,19,21-24,31-32H,6-7,9-18H2,1-5H3,(H,33,34)/b20-8+/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
SMILES C[C@H](CC/C=C(CO)C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
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