input word = C00013236

Metabolite InformationStructural formula
Name Emmotin B
(2R-trans)-3,4-Dihydro-2-hydroxy-5-(hydroxymethyl)-3-(1-hydroxy-1-methylethyl)-8-(methoxymethyl)-1(2H)-naphthalenone
Formula C16H22O5
Mw 294.14672381
CAS RN 53915-45-0
C_ID C00013236 ,
InChIKey KUYOFDPEDWRHRH-XGJSPVFONA-N
InChICode InChI=1S/C16H22O5/c1-16(2,20)12-6-11-9(7-17)4-5-10(8-21-3)13(11)15(19)14(12)18/h4-5,12,14,17-18,20H,6-8H2,1-3H3/t12-,14+/m0/s1
SMILES c12C(=O)[C@@H]([C@H](Cc1c(ccc2COC)CO)C(O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIcacinaceaeEmmotum nitens Ref.
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OrganismEmmotum nitens
Referencede Oliveira,Phytochem.,13,(1974),1199