input word = C00036717

Metabolite InformationStructural formula
Name Amurensin I
(-)-Amurensin I
Formula C56H38O12
Mw 902.23632668
CAS RN 389059-67-0
C_ID C00036717 ,
InChIKey MHXQOSXHVFCPEQ-TXCNLUAXNA-N
InChICode InChI=1S/C56H38O12/c57-26-7-1-23(2-8-26)43-46-35(16-30(61)19-38(46)64)51-47-36(17-31(62)20-41(47)67-55(51)25-5-11-28(59)12-6-25)49(43)50-37-18-32(63)21-42-48(37)54-53-45(34-15-29(60)13-14-33(34)56(54)68-42)39(65)22-40(66)52(53)44(50)24-3-9-27(58)10-4-24/h1-22,43-44,49-51,55,57-66H/t43-,44+,49+,50+,51+,55-/m1/s1
SMILES c12c([C@H]([C@H](c3c4[C@H]1[C@H](Oc4cc(c3)O)c1ccc(cc1)O)[C@@H]1[C@@H](c3c4c5c6c1cc(cc6oc5c1ccc(cc1c4c(cc3O)O)O)O)c1ccc(cc1)O)c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis (Rupr.) Ref.
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OrganismVitis amurensis (Rupr.)
ReferenceHuang,Phytochem.,58,(2001),357