input word = C00031559

Metabolite InformationStructural formula
Name Acantrifoic acid A
(-)-Acantrifoic acid A
Formula C32H48O7
Mw 544.34000389
CAS RN 654663-85-1
C_ID C00031559 ,
InChIKey LIKVRUAPPXCRHS-XGXWDTSNNA-N
InChICode InChI=1S/C32H48O7/c1-18(17-33)20-9-14-32(27(37)38)16-15-29(4)21(25(20)32)7-8-22-28(3)12-11-24(39-19(2)34)31(6,26(35)36)23(28)10-13-30(22,29)5/h20-25,33H,1,7-17H2,2-6H3,(H,35,36)(H,37,38)/t20-,21+,22+,23+,24+,25-,28+,29+,30+,31-,32-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H]([C@@]3(C)C(=O)O)OC(=O)C)C)C)C)(CC[C@H]2C(=C)CO)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
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OrganismAcanthopanax trifoliatus
ReferenceKiem,Chem.Pharm.Bull.,51,(2003),1432