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 Oc1ccc([C@H]2Oc3cc(O)c(/C=C/c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis (Rupr.) Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis heyneana Ref.
PlantaeVitaceaeVitis sp. Ref.
zoom in



OrganismVitis amurensis (Rupr.)
ReferenceHuang,Phytochem.,58,(2001),357