input word = C00057169

Metabolite InformationStructural formula
Name Muconin
Formula C37H66O7
Mw 622.48085446
CAS RN 183195-98-4
C_ID C00057169
InChIKey AQGAHXFRKSQXSN-LTGLSHGVSA-N
InChICode InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-13-16-21-32(40)34-24-25-36(44-34)35-23-18-22-33(43-35)31(39)20-17-14-11-12-15-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33-,34+,35+,36+/m0/s1
SMILES C[C@H]1C=C(C[C@H](O)CCCCCCC[C@H](O)[C@]2([H])CCC[C@@]([C@]3([H])O[C@@]([H])([C@H](O)CCCCCCCCCCCC)CC3)([H])O2)C(O1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeRollinia mucosa Ref.
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