input word = C00007114

Metabolite InformationStructural formula
Name Antiarone J
Formula C26H32O7
Mw 456.21480338
CAS RN 137196-96-4
C_ID C00007114 ,
InChIKey ZCVGLTYGHRXWLX-NJPLCYPENA-N
InChICode InChI=1S/C26H32O7/c1-13(2)6-7-14-8-16-17(12-22(30)23-20(28)9-15(27)10-21(23)29)19(26(3,4)32)11-18(16)24(31)25(14)33-5/h6,8-10,17,19,27-29,31-32H,7,11-12H2,1-5H3/t17-,19-/m1/s1
SMILES c1c2c(c(c(c1CC=C(C)C)OC)O)C[C@H]([C@@H]2CC(=O)c1c(cc(cc1O)O)O)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeAntiaris toxicaria Ref.
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