input word = C00031996

Metabolite InformationStructural formula
Name Mallophenol B
(+)-Mallophenol B
Formula C26H34O12
Mw 538.20502655
CAS RN 752252-71-4
C_ID C00031996 ,
InChIKey CFHLLMJNDISYRP-BFAMMHMTNA-N
InChICode InChI=1S/C26H34O12/c1-12-7-15(27)10-25(3,4)26(12,35)6-5-13(2)37-24-22(33)21(32)20(31)18(38-24)11-36-23(34)14-8-16(28)19(30)17(29)9-14/h5-9,13,18,20-22,24,28-33,35H,10-11H2,1-4H3/b6-5+/t13-,18-,20-,21+,22-,24-,26-/m1/s1
SMILES [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)c1cc(c(c(c1)O)O)O)O[C@@H](/C=C/[C@]1(C(=CC(=O)CC1(C)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMallotus furetianus Ref.
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