input word = C00049361

Metabolite InformationStructural formula
Name Calamistrin A
(+)-Calamistrin A
Formula C37H68O6
Mw 608.5015899
CAS RN 220525-49-5
C_ID C00049361 ,
InChIKey SBRUXUPVPABYSZ-WXASIPAXNA-N
InChICode InChI=1S/C37H68O6/c1-3-4-5-6-7-11-16-19-22-25-33(39)35-26-27-36(43-35)34(40)29-32(38)24-21-18-15-13-10-8-9-12-14-17-20-23-31-28-30(2)42-37(31)41/h28,30,32-36,38-40H,3-27,29H2,1-2H3/t30-,32-,33-,34+,35+,36+/m0/s1
SMILES [C@@H]1(CC[C@@H](O1)[C@@H](O)CCCCCCCCCCC)[C@@H](C[C@H](CCCCCCCCCCCCCC1=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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