input word = C00036719

Metabolite InformationStructural formula
Name Amurensin K
(+)-Amurensin K
Formula C56H40O13
Mw 920.24689137
CAS RN 388121-56-0
C_ID C00036719 ,
InChIKey KYCWATKXJOSHQR-OUZCEPSNNA-N
InChICode InChI=1S/C56H40O13/c57-30-8-1-25(2-9-30)47-49(38-20-36(63)22-45-51(38)53(39-19-35(62)21-42(65)50(39)47)55(68-45)27-5-12-32(59)13-6-27)37-17-28(7-14-41(37)64)44-23-40-52-46(24-43(66)56(40)67-44)69-54(26-3-10-31(58)11-4-26)48(52)29-15-33(60)18-34(61)16-29/h1-24,47-49,53-55,57-66H/t47-,48+,49+,53+,54-,55-/m1/s1
SMILES c12c([C@@H]([C@H](c3c4[C@H]1[C@H](Oc4cc(c3)O)c1ccc(cc1)O)c1c(ccc(c1)c1cc3c(o1)c(cc1c3[C@@H]([C@H](O1)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)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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