input word = C00057214

Metabolite InformationStructural formula
Name Paradisin A
Formula C42H46O11
Mw 726.30401231
CAS RN 198343-05-4
C_ID C00057214
InChIKey AGWWNHLHAZTYCS-OBKSYJDZSA-N
InChICode InChI=1S/C42H46O11/c1-25(15-19-49-39-27-9-13-37(44)51-33(27)23-31-29(39)17-21-47-31)7-11-35(43)42(5,6)53-36(41(3,4)46)12-8-26(2)16-20-50-40-28-10-14-38(45)52-34(28)24-32-30(40)18-22-48-32/h9-10,13-18,21-24,35-36,43,46H,7-8,11-12,19-20H2,1-6H3/b25-15+,26-16+/t35-,36-/m1/s1
SMILES C/C(CC[C@@H](O)C(C)(O[C@@H](C(C)(O)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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