input word = C00031649

Metabolite InformationStructural formula
Name Caragaphenol A
Formula C42H30O9
Mw 678.18898256
CAS RN 837415-54-0
C_ID C00031649 ,
InChIKey AEOGCGVNRXJICU-KYXDCYGVNA-N
InChICode InChI=1S/C42H30O9/c43-23-7-1-20(2-8-23)13-29-30-14-27(47)18-34-37(30)40(42(50-34)22-5-11-25(45)12-6-22)32-16-28(48)19-35-38(32)39(31-15-26(46)17-33(49)36(29)31)41(51-35)21-3-9-24(44)10-4-21/h1-19,39-49H/b29-13-/t39-,40+,41+,42-/m1/s1
SMILES Oc1ccc(/C=C2/c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c32)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaragana stenophylla Ref.
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