input word = C00009133

Metabolite InformationStructural formula
Name Guibourtinidol-(4alpha->10)-[7,8-dihydro-8-(2,4-dihydroxyphenyl)-6-(3,4-dihydroxyphenyl)-7-hydroxy-6H-pyrano[2,3-f]catechin
Formula C45H38O15
Mw 818.22107055
CAS RN 127612-72-0
C_ID C00009133 ,
InChIKey MCSFOLPBQAIBEZ-DOIRJLCDNA-N
InChICode InChI=1S/C45H38O15/c46-21-5-1-18(2-6-21)42-40(57)35(25-10-8-23(48)16-33(25)58-42)37-38(55)36-34(24-9-7-22(47)15-29(24)51)39(56)43(20-4-12-28(50)31(53)14-20)60-45(36)26-17-32(54)41(59-44(26)37)19-3-11-27(49)30(52)13-19/h1-16,32,34-35,39-43,46-57H,17H2/t32-,34+,35+,39+,40+,41-,42-,43-/m1/s1
SMILES [C@@H]1([C@@H]([C@H](Oc2c1ccc(c2)O)c1ccc(cc1)O)O)c1c2O[C@@H]([C@@H](Cc2c2c(c1O)[C@@H]([C@@H]([C@H](O2)c1ccc(c(c1)O)O)O)c1ccc(cc1O)O)O)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeColophospermum mopane Ref.
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