input word = C00044151

Metabolite InformationStructural formula
Name Disepalin
(+)-Disepalin
Formula C39H70O8
Mw 666.50706921
CAS RN 189395-47-9
C_ID C00044151 ,
InChIKey UWHSWQXAPPPBIE-YHMRRDBTNA-N
InChICode InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-37(46-31(3)40)38-27-26-36(47-38)35(43)24-20-19-22-33(41)21-16-15-17-23-34(42)29-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30-,33-,34+,35+,36+,37+,38+/m0/s1
SMILES CCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@H]1CC[C@H](C(O)CCCCC(O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeDisepalum anomalum Ref.
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