input word = C00015741

Metabolite InformationStructural formula
Name Ampelopsin H
Formula C56H42O12
Mw 906.26762681
CAS RN 149560-84-9
C_ID C00015741 ,
InChIKey HEIKOEZNFLUAEJ-FYIAGBAMNA-N
InChICode InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)48-40(66)24-42-50(54(48)51(43)52)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46+,51+,52+,55-,56+/m1/s1
SMILES c1(ccc(cc1)[C@@H]1c2c(c3c(cc2O)O[C@H]([C@H]3c2cc(cc(c2)O)O)c2ccc(cc2)O)[C@@H]2[C@H]1c1c([C@H]2c2ccc(cc2)O)c(cc2c1[C@H]([C@H](O2)c1ccc(cc1)O)c1cc(cc(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeAmpelopsis brevipedunculata var hancei Ref.
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis chunganensis Ref.
PlantaeVitaceaeVitis coignetiae Ref.
PlantaeVitaceaeVitis heyneana Ref.
PlantaeVitaceaeVitis thunbergii Ref.
PlantaeVitaceaeVitis vinifera Ref.
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