input word = C00040933

Metabolite InformationStructural formula
Name Deacylmetaplexigenin
Formula C21H32O6
Mw 380.21988875
CAS RN 3513-04-0
C_ID C00040933 ,
InChIKey ATMZVVNNICECKQ-XTXMOTMYNA-N
InChICode InChI=1S/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)C(=O)C)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMetaplexis japonica Ref.
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OrganismMetaplexis japonica
ReferenceWarashina,Phytochem.,49,(1998),2103