input word = C00055292

Metabolite InformationStructural formula
Name 6',7'-Dihydroxybergamottin decanal acetal
Formula C31H42O6
Mw 510.29813907
CAS RN 1181223-80-2
C_ID C00055292
InChIKey GAAPAEWIPWJVMW-AYBMPSMDSA-N
InChICode InChI=1S/C31H42O6/c1-5-6-7-8-9-10-11-12-29-36-27(31(3,4)37-29)15-13-22(2)17-19-34-30-23-14-16-28(32)35-26(23)21-25-24(30)18-20-33-25/h14,16-18,20-21,27,29H,5-13,15,19H2,1-4H3/b22-17+/t27-,29?/m1/s1
SMILES CCCCCCCCCC1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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