input word = C00012256

Metabolite InformationStructural formula
Name Montafrusin
Montafrusin A
Formula C20H26O6
Mw 362.17293856
CAS RN 72065-36-2
C_ID C00012256 ,
InChIKey YAXKSMGYDCTPBJ-GOUBINSBNA-N
InChICode InChI=1S/C20H26O6/c1-6-11(3)19(23)26-18-16-13(5)20(24)25-15(16)8-10(2)7-14(21)9-12(4)17(18)22/h6,8-9,14-18,21-22H,5,7H2,1-4H3/b10-8+,11-6+,12-9-/t14-,15-,16+,17+,18-/m1/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)/C=C(/C[C@H](/C=C(\[C@@H]([C@@H]2OC(=O)/C(=C/C)/C)O)/C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMontanoa frutescens Ref.
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