input word = C00041500

Metabolite InformationStructural formula
Name Dichapetalin J
(+)-Dichapetalin J
Formula C39H52O7
Mw 632.37130401
CAS RN 876610-27-4
C_ID C00041500 ,
InChIKey KOTGYKATMONDCA-HDZOHKCUNA-N
InChICode InChI=1S/C39H52O7/c1-22(19-40)14-26-16-27(34(43)46-26)28-11-13-38-20-39(28,38)33(42)18-31-35(2)12-10-24-15-29(23-6-8-25(44-5)9-7-23)45-21-36(24,3)30(35)17-32(41)37(31,38)4/h6-10,14,26-33,40-42H,11-13,15-21H2,1-5H3/b22-14+/t26-,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+,39+/m0/s1
SMILES COc1ccc([C@@H]2CC3=CC[C@]4(C)[C@H]5C[C@@H](O)[C@]67C[C@]6(CC[C@H]7[C@@H]6C[C@H](/C=C(C)CO)OC6=O)[C@]5(C)[C@H](O)C[C@H]4[C@@]3(C)CO2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDichapetalaceaeDichapetalum gelonioides Ref.
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