input word = C00003601

Metabolite InformationStructural formula
Name alpha-Antiarin
Formula C29H42O11
Mw 566.27271219
CAS RN 23605-05-2
C_ID C00003601 ,
InChIKey MFIXZHBJWSBQJA-YYHJBCRQNA-N
InChICode InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22-,23-,24+,25+,26-,27-,28-,29-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeAntiaris toxicaria Ref.
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