input word = C00037271

Metabolite InformationStructural formula
Name Heyneanol A
Formula C56H42O12
Mw 906.26762681
CAS RN 178330-69-3
C_ID C00037271 ,
InChIKey MDPYLJIHFPMHSM-LLIOMRCWNA-N
InChICode InChI=1S/C56H42O12/c57-35-10-4-29(5-11-35)54-50(33-18-38(60)23-39(61)19-33)44-22-32(46(65)27-48(44)67-54)3-1-28-2-16-47-43(17-28)52(56(66-47)31-8-14-37(59)15-9-31)45-25-42(64)26-49-53(45)51(34-20-40(62)24-41(63)21-34)55(68-49)30-6-12-36(58)13-7-30/h1-27,50-52,54-65H/b3-1+/t50-,51+,52+,54+,55-,56-/m0/s1
SMILES [C@H]1([C@H](Oc2c1cc(c(c2)O)/C=C/c1ccc2O[C@H]([C@H](c2c1)c1cc(cc2c1[C@H]([C@@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)c1ccc(cc1)O)c1ccc(cc1)O)c1cc(cc(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis (Rupr.) Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis sp. Ref.
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OrganismVitis amurensis (Rupr.)
ReferenceHuang,Phytochem.,58,(2001),357