input word = C00047017

Metabolite InformationStructural formula
Name Calamistrin E
(+)-Calamistrin E
Formula C37H66O6
Mw 606.48593984
CAS RN 271597-98-9
C_ID C00047017 ,
InChIKey KQNMHWSOZBGQAZ-MWZIOLDTNA-N
InChICode InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h14,17,29-30,32-36,38-40H,3-13,15-16,18-28H2,1-2H3/b17-14-/t30-,32+,33+,34+,35+,36+/m0/s1
SMILES [C@@H]1(CC[C@@H](O1)[C@@H](CC/C=C\CCCCCCCCCC)O)[C@@H](CCCCCCCCC[C@H](CCC1=C[C@@H](OC1=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeUvaria calamistrata Ref.
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