input word = C00057215

Metabolite InformationStructural formula
Name Paradisin B
Formula C42H44O10
Mw 708.29344763
CAS RN 198343-06-5
C_ID C00057215
InChIKey ZXUKAZPCOMPMHC-BDHXJHTBSA-N
InChICode InChI=1S/C42H44O10/c1-25(2)32(11-7-26(3)15-19-48-40-28-9-13-38(44)50-35(28)23-33-30(40)17-21-46-33)52-42(5,6)37(43)12-8-27(4)16-20-49-41-29-10-14-39(45)51-36(29)24-34-31(41)18-22-47-34/h9-10,13-18,21-24,32,37,43H,1,7-8,11-12,19-20H2,2-6H3/b26-15+,27-16+/t32-,37-/m1/s1
SMILES C/C(CC[C@@H](O)C(C)(O[C@@H](C(C)=C)CC/C(C)=C/COC1=C2C=COC2=CC(O3)=C1C=CC3=O)C)=CCOC4=C5C=COC5=CC(O6)=C4C=CC6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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