input word = C00051686

Metabolite InformationStructural formula
Name Myrciaphenone B
Formula C21H22O13
Mw 482.10604079
CAS RN 203734-36-5
C_ID C00051686
InChIKey GXHABJFCOYOIBY-KBSLTFCKNA-N
InChICode InChI=1S/C21H22O13/c1-7(22)15-10(24)4-9(23)5-13(15)33-21-19(30)18(29)17(28)14(34-21)6-32-20(31)8-2-11(25)16(27)12(26)3-8/h2-5,14,17-19,21,23-30H,6H2,1H3/t14-,17-,18+,19-,21-/m1/s1
SMILES CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
--Basenema acuminatum Ref.
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