input word = C00041499

Metabolite InformationStructural formula
Name Dichapetalin I
(+)-Dichapetalin I
Formula C38H50O6
Mw 602.36073933
CAS RN 876610-25-2
C_ID C00041499 ,
InChIKey OGIKSTYGXSTZFU-CCWQPZBLNA-N
InChICode InChI=1S/C38H50O6/c1-22(19-39)14-25-16-26(33(42)44-25)27-11-13-37-20-38(27,37)32(41)18-30-34(2)12-10-24-15-28(23-8-6-5-7-9-23)43-21-35(24,3)29(34)17-31(40)36(30,37)4/h5-10,14,25-32,39-41H,11-13,15-21H2,1-4H3/b22-14+/t25-,26-,27-,28-,29+,30+,31+,32+,34+,35-,36-,37+,38+/m0/s1
SMILES C/C(=C[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23[C@H](O)C[C@@H]2[C@@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]24C)C(=O)O1)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDichapetalaceaeDichapetalum gelonioides Ref.
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